Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67522
- Core Entity Id
- 130171
- Source Entity Count
- 1
- Preferred Name
- 2-Isopropylphenol
- Name En
- Pubchem Id
- 6943
- Smiles Canonical
- CC(C)C1=CC=CC=C1O
- Molecular Formula
- C9H12O
- Molecular Weight
- 136.0900
- Inchikey
- CRBJBYGJVIBWIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Isopropylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-Isopropylphenol
Itcmdb Generated
ITX-INGREDIENT-9FB88E06D009
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
136.090
Molecular Formula
C9H12O
Fda Maximum Daily Dose (Fdamdd)
0.039
Quantitative Estimate Of Drug Likeness（Qed）
0.629