4-(4-cyclohexylphenyl)butanoic acid

C16H22O2 — CID 3041568

IUPAC4-(4-cyclohexylphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H22O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h9-12,14H,1-8H2,(H,17,18)
InChIKeyZSAFGAFKVCMCIQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.14
Rot. Bonds5

About 4-(4-cyclohexylphenyl)butanoic acid

4-(4-cyclohexylphenyl)butanoic acid (PubChem CID 3041568) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)butanoic acid
PubChem CID3041568
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name4-(4-cyclohexylphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H22O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h9-12,14H,1-8H2,(H,17,18)
InChIKeyZSAFGAFKVCMCIQ-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
5-(4-cyclohexylphenyl)-5,5-difluoropentanoic acid
CID 28931302
5-(4-cyclohexylphenyl)-3-methylpentanoic acid
CID 63536343
3-[4-(thian-4-yl)phenyl]propanoic acid
CID 117379775
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
4-(4-cyclobutylphenyl)butan-2-one
CID 116506735
4-[(4-cyclopropylphenyl)methylamino]butanoic acid
CID 79979436
3-(4-cyclohexylphenyl)sulfanylpropanoic acid
CID 116852839
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154
4-[4-[amino(cyclohexanecarbonyl)amino]phenyl]butanoic acid
CID 130333783

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)butanoic acid?
The IUPAC name of 4-(4-cyclohexylphenyl)butanoic acid (CID 3041568) is 4-(4-cyclohexylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-cyclohexylphenyl)butanoic acid?
The canonical SMILES for 4-(4-cyclohexylphenyl)butanoic acid is O=C(O)CCCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexylphenyl)butanoic acid?
The InChIKey is ZSAFGAFKVCMCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h9-12,14H,1-8H2,(H,17,18).
What are the key properties of 4-(4-cyclohexylphenyl)butanoic acid?
4-(4-cyclohexylphenyl)butanoic acid has a molecular weight of 246.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)butanoic acid is sourced from PubChem (CID 3041568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).