3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid

C17H17ClO3 — CID 133245535

IUPAC3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccc(CC(Oc2ccccc2C)C(=O)O)cc1Cl
InChIInChI=1S/C17H17ClO3/c1-11-7-8-13(9-14(11)18)10-16(17(19)20)21-15-6-4-3-5-12(15)2/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyFGKAFLZVXZZIAD-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.03
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid

3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid (PubChem CID 133245535) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
PubChem CID133245535
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccc(CC(Oc2ccccc2C)C(=O)O)cc1Cl
InChIInChI=1S/C17H17ClO3/c1-11-7-8-13(9-14(11)18)10-16(17(19)20)21-15-6-4-3-5-12(15)2/h3-9,16H,10H2,1-2H3,(H,19,20)
InChIKeyFGKAFLZVXZZIAD-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic 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

3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
CID 133245547
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536
3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
CID 100540005
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098
3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133241239
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
3-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 133241251
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid (CID 133245535) is 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid is Cc1ccc(CC(Oc2ccccc2C)C(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid?
The InChIKey is FGKAFLZVXZZIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-7-8-13(9-14(11)18)10-16(17(19)20)21-15-6-4-3-5-12(15)2/h3-9,16H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid?
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid has a molecular weight of 304.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 133245535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).