4-(2-chlorophenyl)cyclohexane-1-carboxylic acid

C13H15ClO2 — CID 18597617

IUPAC4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C13H15ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-4,9-10H,5-8H2,(H,15,16)
InChIKeyWVKUFCLPSAKMMW-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.70
Rot. Bonds2

About 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid

4-(2-chlorophenyl)cyclohexane-1-carboxylic acid (PubChem CID 18597617) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
PubChem CID18597617
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C13H15ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-4,9-10H,5-8H2,(H,15,16)
InChIKeyWVKUFCLPSAKMMW-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid (CID 18597617) is 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is WVKUFCLPSAKMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-4,9-10H,5-8H2,(H,15,16).
What are the key properties of 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid?
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid has a molecular weight of 238.71 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18597617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).