4-(4-cyclohexylphenyl)-3-methylbutanoic acid

C17H24O2 — CID 116926748

IUPAC4-(4-cyclohexylphenyl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-13(12-17(18)19)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyQJHRULJQVQOWOP-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.39
Rot. Bonds5

About 4-(4-cyclohexylphenyl)-3-methylbutanoic acid

4-(4-cyclohexylphenyl)-3-methylbutanoic acid (PubChem CID 116926748) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-3-methylbutanoic acid
PubChem CID116926748
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(4-cyclohexylphenyl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-13(12-17(18)19)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyQJHRULJQVQOWOP-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-cyclohexylphenyl)-3-methylbutanoic 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

5-(4-cyclohexylphenyl)-3-methylpentanoic acid
CID 63536343
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154
3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 116924713
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
1-(4-cyclohexylphenyl)-N-methylpropan-2-amine
CID 82262296
2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
2-[1-(4-cyclohexylphenyl)ethylsulfanyl]acetic acid
CID 21393949

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-3-methylbutanoic acid?
The IUPAC name of 4-(4-cyclohexylphenyl)-3-methylbutanoic acid (CID 116926748) is 4-(4-cyclohexylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 4-(4-cyclohexylphenyl)-3-methylbutanoic acid is CC(CC(=O)O)Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-3-methylbutanoic acid?
The InChIKey is QJHRULJQVQOWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(12-17(18)19)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of 4-(4-cyclohexylphenyl)-3-methylbutanoic acid?
4-(4-cyclohexylphenyl)-3-methylbutanoic acid has a molecular weight of 260.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 116926748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).