1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid

C17H22O2 — CID 117399697

IUPAC1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C2CCCCC2)CCC1
InChIInChI=1S/C17H22O2/c18-16(19)17(11-6-12-17)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,18,19)
InChIKeyLAVVKYRETJJVNU-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.24
Rot. Bonds3

About 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid

1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117399697) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117399697
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C2CCCCC2)CCC1
InChIInChI=1S/C17H22O2/c18-16(19)17(11-6-12-17)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,18,19)
InChIKeyLAVVKYRETJJVNU-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
CID 117362898
1-(2-piperidin-4-ylphenyl)cyclobutane-1-carboxylic acid
CID 117402401
1-[2-(oxan-4-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117466009
1-(2-piperidin-4-ylphenyl)cyclohexane-1-carboxylic acid
CID 117463979
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclopentane-1-carboxylic acid
CID 117484269
1-[2-(oxan-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117367993
1-[2-(1-methylazetidin-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117436365
1-[2-(4-tert-butylcyclohexyl)phenyl]cyclopropane-1-carboxylic acid
CID 117484282
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
CID 117362913

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid (CID 117399697) is 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccccc2C2CCCCC2)CCC1.
What is the InChIKey of 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is LAVVKYRETJJVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-16(19)17(11-6-12-17)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,18,19).
What are the key properties of 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid?
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117399697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).