4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid

C20H22O3 — CID 139839146

IUPAC4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid
SMILESCC1(c2cc(-c3ccc(C(=O)O)cc3)ccc2O)CCCCC1
InChIInChI=1S/C20H22O3/c1-20(11-3-2-4-12-20)17-13-16(9-10-18(17)21)14-5-7-15(8-6-14)19(22)23/h5-10,13,21H,2-4,11-12H2,1H3,(H,22,23)
InChIKeyCZCUGFCFVPWKCJ-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.98
Rot. Bonds3

About 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid

4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid (PubChem CID 139839146) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid
PubChem CID139839146
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid
SMILESCC1(c2cc(-c3ccc(C(=O)O)cc3)ccc2O)CCCCC1
InChIInChI=1S/C20H22O3/c1-20(11-3-2-4-12-20)17-13-16(9-10-18(17)21)14-5-7-15(8-6-14)19(22)23/h5-10,13,21H,2-4,11-12H2,1H3,(H,22,23)
InChIKeyCZCUGFCFVPWKCJ-UHFFFAOYSA-N
XLogP4.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid?
The IUPAC name of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid (CID 139839146) is 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid is CC1(c2cc(-c3ccc(C(=O)O)cc3)ccc2O)CCCCC1.
What is the InChIKey of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid?
The InChIKey is CZCUGFCFVPWKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-20(11-3-2-4-12-20)17-13-16(9-10-18(17)21)14-5-7-15(8-6-14)19(22)23/h5-10,13,21H,2-4,11-12H2,1H3,(H,22,23).
What are the key properties of 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid?
4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid has a molecular weight of 310.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid is sourced from PubChem (CID 139839146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).