3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid

C15H11Cl2FO2 — CID 115983264

IUPAC3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c16-11-5-1-3-9(7-11)12(15(19)20)8-10-4-2-6-13(18)14(10)17/h1-7,12H,8H2,(H,19,20)
InChIKeyYWMZTTULNYPYFK-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.54
Rot. Bonds4

About 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid

3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid (PubChem CID 115983264) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
PubChem CID115983264
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H11Cl2FO2/c16-11-5-1-3-9(7-11)12(15(19)20)8-10-4-2-6-13(18)14(10)17/h1-7,12H,8H2,(H,19,20)
InChIKeyYWMZTTULNYPYFK-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
CID 115983260
3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 79440337
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one
CID 115797326
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
4-amino-1-(2-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 116567097
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)propanoic acid
CID 79440338
2-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
2-(3-chlorophenyl)-6-methylheptanoic acid
CID 83158941
4-bromo-2-[(2-chloro-3-fluorophenyl)methylsulfanyl]benzoic acid
CID 115982651

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid (CID 115983264) is 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid is O=C(O)C(Cc1cccc(F)c1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
The InChIKey is YWMZTTULNYPYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-11-5-1-3-9(7-11)12(15(19)20)8-10-4-2-6-13(18)14(10)17/h1-7,12H,8H2,(H,19,20).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid has a molecular weight of 313.16 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid is sourced from PubChem (CID 115983264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).