1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid

C16H22O2 — CID 62738855

IUPAC1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-2-13-6-8-14(9-7-13)12-16(15(17)18)10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3,(H,17,18)
InChIKeyGERWRRQVAXJVQW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.83
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid

1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 62738855) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID62738855
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-2-13-6-8-14(9-7-13)12-16(15(17)18)10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3,(H,17,18)
InChIKeyGERWRRQVAXJVQW-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
1-[(1-methylpyrrol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82286606
1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82291603
1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116928741
1-(4-ethylanilino)cyclohexane-1-carboxylic acid
CID 71564845
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid (CID 62738855) is 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid is CCc1ccc(CC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GERWRRQVAXJVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-13-6-8-14(9-7-13)12-16(15(17)18)10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3,(H,17,18).
What are the key properties of 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid?
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 246.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62738855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).