2-(1-cyclohexylethyl)benzoic acid

C15H20O2 — CID 115038988

IUPAC2-(1-cyclohexylethyl)benzoic acid
SMILESCC(c1ccccc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H20O2/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15(16)17/h5-6,9-12H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyLFZULFQBTAQQPM-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.07
Rot. Bonds3

About 2-(1-cyclohexylethyl)benzoic acid

2-(1-cyclohexylethyl)benzoic acid (PubChem CID 115038988) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)benzoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)benzoic acid
PubChem CID115038988
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(1-cyclohexylethyl)benzoic acid
SMILESCC(c1ccccc1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H20O2/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15(16)17/h5-6,9-12H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyLFZULFQBTAQQPM-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone
CID 13431966
2-(1-amino-2-hydroxypropyl)benzoic acid
CID 55269220
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
2-(1-hydroxy-2-methylpropyl)benzoic acid
CID 83388039
2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
cyclohexylcyclohexane;2-hydroxybenzoic acid
CID 70398658
2-[hydroxy(methoxy)methyl]benzoic acid
CID 90208008
2-[2-[[(1S)-1-cyclohexylethyl]amino]ethoxy]benzoic acid
CID 103257504

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethyl)benzoic acid?
The IUPAC name of 2-(1-cyclohexylethyl)benzoic acid (CID 115038988) is 2-(1-cyclohexylethyl)benzoic acid.
What is the SMILES notation for 2-(1-cyclohexylethyl)benzoic acid?
The canonical SMILES for 2-(1-cyclohexylethyl)benzoic acid is CC(c1ccccc1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethyl)benzoic acid?
The InChIKey is LFZULFQBTAQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15(16)17/h5-6,9-12H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(1-cyclohexylethyl)benzoic acid?
2-(1-cyclohexylethyl)benzoic acid has a molecular weight of 232.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethyl)benzoic acid is sourced from PubChem (CID 115038988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).