2-(1-propylcyclohexyl)benzoic acid

C16H22O2 — CID 174854619

IUPAC2-(1-propylcyclohexyl)benzoic acid
SMILESCCCC1(c2ccccc2C(=O)O)CCCCC1
InChIInChI=1S/C16H22O2/c1-2-10-16(11-6-3-7-12-16)14-9-5-4-8-13(14)15(17)18/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,17,18)
InChIKeyWSVDWBYXSDUUKK-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.39
Rot. Bonds4

About 2-(1-propylcyclohexyl)benzoic acid

2-(1-propylcyclohexyl)benzoic acid (PubChem CID 174854619) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1-propylcyclohexyl)benzoic acid.

Molecular Properties

Compound Name2-(1-propylcyclohexyl)benzoic acid
PubChem CID174854619
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(1-propylcyclohexyl)benzoic acid
SMILESCCCC1(c2ccccc2C(=O)O)CCCCC1
InChIInChI=1S/C16H22O2/c1-2-10-16(11-6-3-7-12-16)14-9-5-4-8-13(14)15(17)18/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,17,18)
InChIKeyWSVDWBYXSDUUKK-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-pentylcyclohexyl)benzoic acid
CID 22401965
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
[2-(1-butylcyclohexyl)phenyl]-(4-nitrophenyl)methanone
CID 67733528
2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
CID 84727333
2-(1-chlorocyclobutyl)benzoic acid
CID 174912911
2-[1-[2-(dimethylamino)ethyl]cyclobutyl]benzamide
CID 67551440
(3S,4S)-3-hydroxy-1-(1-phenylcyclohexanecarbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163307973
1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene
CID 23219386
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
1-(2-pentan-3-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438771
3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene
CID 141298353

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylcyclohexyl)benzoic acid?
The IUPAC name of 2-(1-propylcyclohexyl)benzoic acid (CID 174854619) is 2-(1-propylcyclohexyl)benzoic acid.
What is the SMILES notation for 2-(1-propylcyclohexyl)benzoic acid?
The canonical SMILES for 2-(1-propylcyclohexyl)benzoic acid is CCCC1(c2ccccc2C(=O)O)CCCCC1.
What is the InChIKey of 2-(1-propylcyclohexyl)benzoic acid?
The InChIKey is WSVDWBYXSDUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-10-16(11-6-3-7-12-16)14-9-5-4-8-13(14)15(17)18/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,17,18).
What are the key properties of 2-(1-propylcyclohexyl)benzoic acid?
2-(1-propylcyclohexyl)benzoic acid has a molecular weight of 246.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylcyclohexyl)benzoic acid is sourced from PubChem (CID 174854619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).