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

C13H15ClO2 — CID 2735792

IUPAC4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)
InChIKeyNXXDIEYTMQYWJU-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.70
Rot. Bonds2

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

4-(4-chlorophenyl)cyclohexane-1-carboxylic acid (PubChem CID 2735792) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
PubChem CID2735792
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)
InChIKeyNXXDIEYTMQYWJU-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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Related Compounds

4-(4-chlorophenyl)cyclohexane-1-carbonyl chloride;toluene
CID 174817473
4-(4-bromo-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 164528346
1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
CID 3104712
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
4-(4-carboxycyclohexyl)benzoic acid;4-(4-carboxycyclohexyl)cyclohexane-1-carboxylic acid;4-(4-carboxyphenyl)benzoic acid
CID 160674040
4-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 19746986
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
4-[4-(4-chlorophenyl)cyclohexyl]but-3-enoic acid
CID 67844193
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920
1-chloro-4-[4-(1-prop-1-en-2-yloxyethenyl)cyclohexyl]benzene
CID 139572157

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid (CID 2735792) is 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is NXXDIEYTMQYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16).
What are the key properties of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid?
4-(4-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-(4-chlorophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2735792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).