IngredientID 6315

4-phenylbutene-1

C10H12

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Herb: 3Ingredient: 1Links: 3

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 6315
Core Entity Id: 10200
Source Entity Count: 1
Preferred Name: 4-phenylbutene-1
Name En
Pubchem Id: 13033
Smiles Canonical: C=CCCC1=CC=CC=C1
Molecular Formula: C10H12
Molecular Weight: 132.2060
Inchikey: PBGVMIDTGGTBFS-UHFFFAOYSA-N
Inchi: InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
Isomeric Smiles: C=CCCC1=CC=CC=C1
Cas Id
Ob Score
Mol Logp: 2.8052
Num H Donors: 0
Num H Acceptors: 0
Num Rotatable Bonds: 3
Drug Likeness: 0.5550
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

4-Phenylbutene-1

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

4-Phenylbutene-1

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

4-phenylbutene-1

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

4-phenylbutene-1

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

4-phenylbutene-1

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(but-3-en-1-yl)benzene

Role

alias

Source

HERB_v2

Preferred

Name

(but-3-en-1-yl)benzene

Role

alias

Source

itcmdb_public

Preferred

Name

1-Butene, 4-phenyl-

Role

alias

Source

TCMBank

Preferred

Name

1-Butene, 4-phenyl-

Role

alias

Source

HERB_v2

Preferred

Name

1-Butene, 4-phenyl-

Role

alias

Source

SymMap_v2

Preferred

Name

1-Butene, 4-phenyl-

Role

alias

Source

itcmdb_public

Preferred

Name

1-Phenyl-3-butene

Role

alias

Source

HERB_v2

Preferred

Name

1-Phenyl-3-butene

Role

alias

Source

SymMap_v2

Preferred

Name

1-Phenyl-3-butene

Role

alias

Source

itcmdb_public

Preferred

Name

1-Phenyl-3-butene

Role

alias

Source

TCMBank

Preferred

Name

2-(BUT-3-EN-1-YL)PHENYL

Role

alias

Source

SymMap_v2

Preferred

Name

2-(BUT-3-EN-1-YL)PHENYL

Role

alias

Source

TCMBank

Preferred

Name

3-Butenylbenzene

Role

alias

Source

itcmdb_public

Preferred

Name

3-Butenylbenzene

Role

alias

Source

HERB_v2

Preferred

Name

3-Butenylbenzene

Role

alias

Source

SymMap_v2

Preferred

Name

3-Butenylbenzene

Role

alias

Source

TCMBank

Preferred

Name

4-PHENYL-1-BUTENE

Role

alias

Source

HERB_v2

Preferred

Name

4-PHENYL-1-BUTENE

Role

alias

Source

TCMBank

Preferred

Name

4-PHENYL-1-BUTENE

Role

alias

Source

itcmdb_public

Preferred

Name

4-PHENYL-1-BUTENE

Role

alias

Source

SymMap_v2

Preferred

Name

4-Phenyl-1-butene, 99%

Role

alias

Source

SymMap_v2

Preferred

Name

4-Phenyl-1-butene, 99%

Role

alias

Source

TCMBank

Preferred

Name

4-Phenylbut-1-ene

Role

alias

Source

TCMBank

Preferred

Name

4-Phenylbut-1-ene

Role

alias

Source

HERB_v2

Preferred

Name

4-Phenylbut-1-ene

Role

alias

Source

SymMap_v2

Preferred

Name

4-Phenylbut-1-ene

Role

alias

Source

itcmdb_public

Preferred

Name

4-Phenylbutene-1

Role

alias

Source

TCMBank

Preferred

Name

4-Phenylbutene-1

Role

alias

Source

SymMap_v2

Preferred

Name

4-phenyl butene

Role

alias

Source

TCMBank

Preferred

Name

4-phenyl butene

Role

alias

Source

SymMap_v2

Preferred

Name

58584HOZ1Z

Role

alias

Source

SymMap_v2

Preferred

Name

58584HOZ1Z

Role

alias

Source

TCMBank

Preferred

Name

768-56-9

Role

alias

Source

HERB_v2

Preferred

Name

768-56-9

Role

alias

Source

SymMap_v2

Preferred

Name

768-56-9

Role

alias

Source

TCMBank

Preferred

Name

768-56-9

Role

alias

Source

itcmdb_public

Preferred

Name

A838870

Role

alias

Source

SymMap_v2

Preferred

Name

A838870

Role

alias

Source

TCMBank

Preferred

Name

AC-16193

Role

alias

Source

SymMap_v2

Preferred

Name

AC-16193

Role

alias

Source

TCMBank

Preferred

Name

AC1L20W2

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L20W2

Role

alias

Source

TCMBank

Preferred

Name

AC1Q2AAZ

Role

alias

Source

SymMap_v2

Preferred

Name

AC1Q2AAZ

Role

alias

Source

TCMBank

Preferred

Name

AC1Q2AB0

Role

alias

Source

SymMap_v2

Preferred

Name

AC1Q2AB0

Role

alias

Source

TCMBank

Preferred

Name

ACMC-1BH3V

Role

alias

Source

SymMap_v2

Preferred

Name

ACMC-1BH3V

Role

alias

Source

TCMBank

Preferred

Name

AKOS009156430

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS009156430

Role

alias

Source

TCMBank

Preferred

Name

AN-47531

Role

alias

Source

SymMap_v2

Preferred

Name

AN-47531

Role

alias

Source

TCMBank

Preferred

Name

ANW-36900

Role

alias

Source

SymMap_v2

Preferred

Name

ANW-36900

Role

alias

Source

TCMBank

Preferred

Name

Benzene, 3-buten-1-yl-

Role

alias

Source

SymMap_v2

Preferred

Name

Benzene, 3-buten-1-yl-

Role

alias

Source

TCMBank

Preferred

Name

Benzene, 3-butenyl-

Role

alias

Source

HERB_v2

Preferred

Name

Benzene, 3-butenyl-

Role

alias

Source

SymMap_v2

Preferred

Name

Benzene, 3-butenyl-

Role

alias

Source

TCMBank

Preferred

Name

Benzene, 3-butenyl-

Role

alias

Source

itcmdb_public

Preferred

Name

Benzene, 3-butenyl- (9CI)

Role

alias

Source

SymMap_v2

Preferred

Name

Benzene, 3-butenyl- (9CI)

Role

alias

Source

TCMBank

Preferred

Name

CJ-28237

Role

alias

Source

SymMap_v2

Preferred

Name

CJ-28237

Role

alias

Source

TCMBank

Preferred

Name

CP0051

Role

alias

Source

SymMap_v2

Preferred

Name

CP0051

Role

alias

Source

TCMBank

Preferred

Name

CTK5E3511

Role

alias

Source

SymMap_v2

Preferred

Name

CTK5E3511

Role

alias

Source

TCMBank

Preferred

Name

DB-056146

Role

alias

Source

SymMap_v2

Preferred

Name

DB-056146

Role

alias

Source

TCMBank

Preferred

Name

DTXSID80227612

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID80227612

Role

alias

Source

TCMBank

Preferred

Name

EC 405-980-7

Role

alias

Source

SymMap_v2

Preferred

Name

EC 405-980-7

Role

alias

Source

TCMBank

Preferred

Name

FR-2119

Role

alias

Source

SymMap_v2

Preferred

Name

FR-2119

Role

alias

Source

TCMBank

Preferred

Name

FT-0619386

Role

alias

Source

SymMap_v2

Preferred

Name

FT-0619386

Role

alias

Source

TCMBank

Preferred

Name

H333

Role

alias

Source

SymMap_v2

Preferred

Name

H333

Role

alias

Source

TCMBank

Preferred

Name

I01-0880

Role

alias

Source

SymMap_v2

Preferred

Name

I01-0880

Role

alias

Source

TCMBank

Preferred

Name

KB-193753

Role

alias

Source

SymMap_v2

Preferred

Name

KB-193753

Role

alias

Source

TCMBank

Preferred

Name

LS-47070

Role

alias

Source

SymMap_v2

Preferred

Name

LS-47070

Role

alias

Source

TCMBank

Preferred

Name

MCULE-7260615003

Role

alias

Source

SymMap_v2

Preferred

Name

MCULE-7260615003

Role

alias

Source

TCMBank

Preferred

Name

MFCD00026111

Role

alias

Source

SymMap_v2

Preferred

Name

MFCD00026111

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-792-301

Role

alias

Source

SymMap_v2

Preferred

Name

MolPort-001-792-301

Role

alias

Source

TCMBank

Preferred

Name

NCIOpen2_000307

Role

alias

Source

SymMap_v2

Preferred

Name

NCIOpen2_000307

Role

alias

Source

TCMBank

Preferred

Name

NSC 65603

Role

alias

Source

SymMap_v2

Preferred

Name

NSC-65603

Role

alias

Source

TCMBank

Preferred

Name

P0161

Role

alias

Source

SymMap_v2

Preferred

Name

P0161

Role

alias

Source

TCMBank

Preferred

Name

PBGVMIDTGGTBFS-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

PBGVMIDTGGTBFS-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

SBB008476

Role

alias

Source

SymMap_v2

Preferred

Name

SBB008476

Role

alias

Source

TCMBank

Preferred

Name

ST50828321

Role

alias

Source

SymMap_v2

Preferred

Name

ST50828321

Role

alias

Source

TCMBank

Preferred

Name

TL8005276

Role

alias

Source

SymMap_v2

Preferred

Name

TL8005276

Role

alias

Source

TCMBank

Preferred

Name

TR-037754

Role

alias

Source

SymMap_v2

Preferred

Name

TR-037754

Role

alias

Source

TCMBank

Preferred

Name

UNII-58584HOZ1Z

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-58584HOZ1Z

Role

alias

Source

TCMBank

Preferred

Name

WLN: 1U3R

Role

alias

Source

SymMap_v2

Preferred

Name

WLN: 1U3R

Role

alias

Source

TCMBank

Preferred

Name

ZINC1692476

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC1692476

Role

alias

Source

TCMBank

Preferred

Name

but-3-en-1-ylbenzene

Role

alias

Source

SymMap_v2

Preferred

Name

but-3-en-1-ylbenzene

Role

alias

Source

TCMBank

Preferred

Name

but-3-enylbenzene

Role

alias

Source

HERB_v2

Preferred

Name

but-3-enylbenzene

Role

alias

Source

SymMap_v2

Preferred

Name

but-3-enylbenzene

Role

alias

Source

TCMBank

Preferred

Name

but-3-enylbenzene

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

(but-3-en-1-yl)benzene1-Butene, 4-phenyl-1-Phenyl-3-butene2-(BUT-3-EN-1-YL)PHENYL3-Butenylbenzene4-PHENYL-1-BUTENE4-Phenyl-1-butene, 99%4-Phenylbut-1-ene4-phenyl butene58584HOZ1Z768-56-9A838870AC-16193AC1L20W2AC1Q2AAZAC1Q2AB0ACMC-1BH3VAKOS009156430AN-47531ANW-36900Benzene, 3-buten-1-yl-Benzene, 3-butenyl-Benzene, 3-butenyl- (9CI)CJ-28237CP0051CTK5E3511DB-056146DTXSID80227612EC 405-980-7FR-2119FT-0619386H333I01-0880KB-193753LS-47070MCULE-7260615003MFCD00026111MolPort-001-792-301NCIOpen2_000307NSC 65603NSC-65603P0161PBGVMIDTGGTBFS-UHFFFAOYSA-NSBB008476ST50828321TL8005276TR-037754UNII-58584HOZ1ZWLN: 1U3RZINC1692476but-3-en-1-ylbenzenebut-3-enylbenzene

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN010816

Npass

NPC281118

Tcmid

23730

Sym Map

SMIT18425

Tcm Id

7752

Pub Chem

13033

Tcmbank

TCMBANKIN001707

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2

Mol Wt

132.206

Smiles

C=CCCC1=CC=CC=C1

Mol Log P

2.805200000000001

Version

v1,v2

In Ch Ikey

PBGVMIDTGGTBFS-UHFFFAOYSA-N

Suppress

Num Hdonors

Drug Likeness

0.555

Num Hacceptors

Isomeric Smiles

C=CCCC1=CC=CC=C1

Canonical Smiles

C=CCCC1=CC=CC=C1

Herb Alias Names

4-PHENYL-1-BUTENE768-56-93-Butenylbenzenebut-3-enylbenzeneBenzene, 3-butenyl-1-Phenyl-3-butene1-Butene, 4-phenyl-4-Phenylbut-1-ene(but-3-en-1-yl)benzene

Molecular Weight

132.2 g/mol

Molecular Formula

C10H12

Molecular Formula

C10H12

Num Rotatable Bonds