2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid

C16H13Cl3O2 — CID 60794211

IUPAC2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3O2/c17-13-3-1-2-10(7-13)6-12(16(20)21)8-11-4-5-14(18)9-15(11)19/h1-5,7,9,12H,6,8H2,(H,20,21)
InChIKeyYAHCCHBIACXDOD-UHFFFAOYSA-N
MW343.64 g/mol
LogP5.13
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid

2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid (PubChem CID 60794211) has the molecular formula C16H13Cl3O2 and a molecular weight of 343.64 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid
PubChem CID60794211
Molecular FormulaC16H13Cl3O2
Molecular Weight343.64 g/mol
Exact Mass342.00
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3O2/c17-13-3-1-2-10(7-13)6-12(16(20)21)8-11-4-5-14(18)9-15(11)19/h1-5,7,9,12H,6,8H2,(H,20,21)
InChIKeyYAHCCHBIACXDOD-UHFFFAOYSA-N
XLogP5.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.64
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)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

2-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)propanoic acid
CID 60793636
2-[(2-bromo-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propanoic acid
CID 60793370
2-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793205
2-[(3-chlorophenyl)methyl]-4-fluorobutanoic acid
CID 80694134
2-[(3-chlorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60793081
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
2-[(4-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propanoic acid
CID 65316701
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
2-[(3-chlorophenyl)methyl]-3-(5-chloropyrazin-2-yl)propanoic acid
CID 103055132
2-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)propanoic acid
CID 60794085
2-[(3-chlorophenyl)methyl]-4-hydroxy-4-methylhexanoic acid
CID 114495142
(2S)-2-amino-3-(2-chlorophenyl)propanoic acid;(2S)-2-amino-3-(3-chlorophenyl)propanoic acid;(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 160968473

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid (CID 60794211) is 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid is O=C(O)C(Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid?
The InChIKey is YAHCCHBIACXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3O2/c17-13-3-1-2-10(7-13)6-12(16(20)21)8-11-4-5-14(18)9-15(11)19/h1-5,7,9,12H,6,8H2,(H,20,21).
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid?
2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid has a molecular weight of 343.64 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 60794211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).