2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid

C17H20O3 — CID 23458492

IUPAC2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20O3/c18-16(14-10-15(14)17(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14-15H,1-5,10H2,(H,19,20)
InChIKeyGNQBHHJZAABJDM-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid

2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 23458492) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid
PubChem CID23458492
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20O3/c18-16(14-10-15(14)17(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14-15H,1-5,10H2,(H,19,20)
InChIKeyGNQBHHJZAABJDM-UHFFFAOYSA-N
XLogP3.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic 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

2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989
(1S,2S,4S)-2-benzoyl-4-phenylcyclohexane-1-carboxylic acid
CID 101034358
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid (CID 23458492) is 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is GNQBHHJZAABJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-16(14-10-15(14)17(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,14-15H,1-5,10H2,(H,19,20).
What are the key properties of 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid?
2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 23458492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).