4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid

C24H28O3 — CID 118679788

IUPAC4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid
SMILESCc1ccccc1C1=C(COc2ccc(CCCC(=O)O)cc2)CCCC1
InChIInChI=1S/C24H28O3/c1-18-7-2-4-10-22(18)23-11-5-3-9-20(23)17-27-21-15-13-19(14-16-21)8-6-12-24(25)26/h2,4,7,10,13-16H,3,5-6,8-9,11-12,17H2,1H3,(H,25,26)
InChIKeyCREGCENRLVEAHK-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.81
Rot. Bonds8

About 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid

4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid (PubChem CID 118679788) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid
PubChem CID118679788
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid
SMILESCc1ccccc1C1=C(COc2ccc(CCCC(=O)O)cc2)CCCC1
InChIInChI=1S/C24H28O3/c1-18-7-2-4-10-22(18)23-11-5-3-9-20(23)17-27-21-15-13-19(14-16-21)8-6-12-24(25)26/h2,4,7,10,13-16H,3,5-6,8-9,11-12,17H2,1H3,(H,25,26)
InChIKeyCREGCENRLVEAHK-UHFFFAOYSA-N
XLogP5.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid (CID 118679788) is 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid is Cc1ccccc1C1=C(COc2ccc(CCCC(=O)O)cc2)CCCC1.
What is the InChIKey of 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid?
The InChIKey is CREGCENRLVEAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-18-7-2-4-10-22(18)23-11-5-3-9-20(23)17-27-21-15-13-19(14-16-21)8-6-12-24(25)26/h2,4,7,10,13-16H,3,5-6,8-9,11-12,17H2,1H3,(H,25,26).
What are the key properties of 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid?
4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid has a molecular weight of 364.49 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-methylphenyl)cyclohexen-1-yl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 118679788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).