2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid

C15H11ClF2O2 — CID 21406779

IUPAC2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C15H11ClF2O2/c1-8(15(19)20)9-2-4-11(13(16)6-9)12-5-3-10(17)7-14(12)18/h2-8H,1H3,(H,19,20)
InChIKeyBUHPBRUKRHNVKB-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.47
Rot. Bonds3

About 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid

2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid (PubChem CID 21406779) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
PubChem CID21406779
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C15H11ClF2O2/c1-8(15(19)20)9-2-4-11(13(16)6-9)12-5-3-10(17)7-14(12)18/h2-8H,1H3,(H,19,20)
InChIKeyBUHPBRUKRHNVKB-UHFFFAOYSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]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-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid
CID 67459388
2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
CID 21406754
2,4-bis[3-chloro-4-(4-fluorophenyl)phenyl]pentan-3-one
CID 141029960
2-[4-(3-chlorophenyl)-3-fluorophenyl]propanoic acid
CID 11572691
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
CID 84791168
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032
2-(7-fluoro-5,5,10,10-tetraoxothianthren-2-yl)propanoic acid
CID 54323540
2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal
CID 21406797

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid (CID 21406779) is 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid?
The InChIKey is BUHPBRUKRHNVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c1-8(15(19)20)9-2-4-11(13(16)6-9)12-5-3-10(17)7-14(12)18/h2-8H,1H3,(H,19,20).
What are the key properties of 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid?
2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid has a molecular weight of 296.70 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 21406779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).