2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid

C17H17ClO3 — CID 82136581

IUPAC2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
SMILESCc1cccc(OCCC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClO3/c1-12-5-4-6-13(11-12)21-10-9-15(17(19)20)14-7-2-3-8-16(14)18/h2-8,11,15H,9-10H2,1H3,(H,19,20)
InChIKeyYAXVHKCXVNORGP-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.29
Rot. Bonds6

About 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid

2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid (PubChem CID 82136581) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
PubChem CID82136581
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
SMILESCc1cccc(OCCC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClO3/c1-12-5-4-6-13(11-12)21-10-9-15(17(19)20)14-7-2-3-8-16(14)18/h2-8,11,15H,9-10H2,1H3,(H,19,20)
InChIKeyYAXVHKCXVNORGP-UHFFFAOYSA-N
XLogP4.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-4-(3-methylphenoxy)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

Related Compounds

2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
CID 82136641
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105099504
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
CID 105081455
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
2-(2-chlorophenyl)-6,6-dimethylheptanoic acid
CID 114209661
3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241497
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid (CID 82136581) is 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid is Cc1cccc(OCCC(C(=O)O)c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid?
The InChIKey is YAXVHKCXVNORGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-12-5-4-6-13(11-12)21-10-9-15(17(19)20)14-7-2-3-8-16(14)18/h2-8,11,15H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid?
2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid has a molecular weight of 304.77 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid is sourced from PubChem (CID 82136581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).