2-(1-phenylcyclohexyl)benzoic acid

C19H20O2 — CID 67822323

IUPAC2-(1-phenylcyclohexyl)benzoic acid
SMILESO=C(O)c1ccccc1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H20O2/c20-18(21)16-11-5-6-12-17(16)19(13-7-2-8-14-19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,20,21)
InChIKeyGGYAFMAHUDIHSJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.64
Rot. Bonds3

About 2-(1-phenylcyclohexyl)benzoic acid

2-(1-phenylcyclohexyl)benzoic acid (PubChem CID 67822323) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-phenylcyclohexyl)benzoic acid.

Molecular Properties

Compound Name2-(1-phenylcyclohexyl)benzoic acid
PubChem CID67822323
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-(1-phenylcyclohexyl)benzoic acid
SMILESO=C(O)c1ccccc1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H20O2/c20-18(21)16-11-5-6-12-17(16)19(13-7-2-8-14-19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,20,21)
InChIKeyGGYAFMAHUDIHSJ-UHFFFAOYSA-N
XLogP4.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-phenylcyclohexyl)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

Related Compounds

1,1-diphenylcyclotetradecane
CID 175822005
1-ethyl-2-(1-phenylcyclohexyl)benzene
CID 173103892
4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 116640865
2-(1-chlorocyclobutyl)benzoic acid
CID 174912911
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 63080980
2-(1-propylcyclohexyl)benzoic acid
CID 174854619
2-(1-phenylcyclopropyl)benzoyl azide
CID 174819455
2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
CID 84727333
2-(1-phenylcyclohexyl)oxycarbonylbenzoic acid
CID 69101523
2-(1-pentylcyclohexyl)benzoic acid
CID 22401965
2-[1-(2-carboxy-4-chlorophenyl)cyclohexyl]-5-chlorobenzoic acid
CID 139725117

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclohexyl)benzoic acid?
The IUPAC name of 2-(1-phenylcyclohexyl)benzoic acid (CID 67822323) is 2-(1-phenylcyclohexyl)benzoic acid.
What is the SMILES notation for 2-(1-phenylcyclohexyl)benzoic acid?
The canonical SMILES for 2-(1-phenylcyclohexyl)benzoic acid is O=C(O)c1ccccc1C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-(1-phenylcyclohexyl)benzoic acid?
The InChIKey is GGYAFMAHUDIHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(21)16-11-5-6-12-17(16)19(13-7-2-8-14-19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,20,21).
What are the key properties of 2-(1-phenylcyclohexyl)benzoic acid?
2-(1-phenylcyclohexyl)benzoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclohexyl)benzoic acid is sourced from PubChem (CID 67822323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).