3-(4-cyclohexylphenyl)-4-methylpentanoic acid

C18H26O2 — CID 52983807

IUPAC3-(4-cyclohexylphenyl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-13(2)17(12-18(19)20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyPCJQTPPOJLISPP-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.95
Rot. Bonds5

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

3-(4-cyclohexylphenyl)-4-methylpentanoic acid (PubChem CID 52983807) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-4-methylpentanoic acid
PubChem CID52983807
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-(4-cyclohexylphenyl)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-13(2)17(12-18(19)20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyPCJQTPPOJLISPP-UHFFFAOYSA-N
XLogP4.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-(4-cyclopropylphenyl)pentanoic acid
CID 79978502
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
2-[1-(4-cyclohexylphenyl)ethylsulfanyl]acetic acid
CID 21393949
5-(4-cyclohexylphenyl)-3-methylpentanoic acid
CID 63536343
(2S)-2-(4-cyclopropylphenyl)butanedioic acid
CID 799527
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
4-methyl-3-phenylpentanoic acid
CID 3249521
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
4-(4-cyclopropylphenyl)-3-methyl-4-oxobutanoic acid
CID 79980110
2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-4-methylpentanoic acid?
The IUPAC name of 3-(4-cyclohexylphenyl)-4-methylpentanoic acid (CID 52983807) is 3-(4-cyclohexylphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-4-methylpentanoic acid?
The canonical SMILES for 3-(4-cyclohexylphenyl)-4-methylpentanoic acid is CC(C)C(CC(=O)O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-4-methylpentanoic acid?
The InChIKey is PCJQTPPOJLISPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13(2)17(12-18(19)20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-cyclohexylphenyl)-4-methylpentanoic acid?
3-(4-cyclohexylphenyl)-4-methylpentanoic acid has a molecular weight of 274.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-4-methylpentanoic acid is sourced from PubChem (CID 52983807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).