2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid

C17H17ClO3 — CID 133150429

IUPAC2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(CC(Oc2cccc(Cl)c2)C(=O)O)c1
InChIInChI=1S/C17H17ClO3/c1-11-6-7-12(2)13(8-11)9-16(17(19)20)21-15-5-3-4-14(18)10-15/h3-8,10,16H,9H2,1-2H3,(H,19,20)
InChIKeyNAFDMAYBVRIOPE-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.03
Rot. Bonds5

About 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid

2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid (PubChem CID 133150429) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
PubChem CID133150429
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
SMILESCc1ccc(C)c(CC(Oc2cccc(Cl)c2)C(=O)O)c1
InChIInChI=1S/C17H17ClO3/c1-11-6-7-12(2)13(8-11)9-16(17(19)20)21-15-5-3-4-14(18)10-15/h3-8,10,16H,9H2,1-2H3,(H,19,20)
InChIKeyNAFDMAYBVRIOPE-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 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)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

(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100527186
(2R)-2-(3-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100525996
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100527362
(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
(2S)-3-(5-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100537835
3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid (CID 133150429) is 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid is Cc1ccc(C)c(CC(Oc2cccc(Cl)c2)C(=O)O)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid?
The InChIKey is NAFDMAYBVRIOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-6-7-12(2)13(8-11)9-16(17(19)20)21-15-5-3-4-14(18)10-15/h3-8,10,16H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid?
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)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 2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 133150429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).