3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid

C15H11Cl2FO2 — CID 103038733

IUPAC3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H11Cl2FO2/c16-12-4-2-1-3-10(12)11(15(19)20)7-9-5-6-14(18)13(17)8-9/h1-6,8,11H,7H2,(H,19,20)
InChIKeyMSUKDMHOZBSQTE-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.54
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid

3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid (PubChem CID 103038733) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
PubChem CID103038733
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H11Cl2FO2/c16-12-4-2-1-3-10(12)11(15(19)20)7-9-5-6-14(18)13(17)8-9/h1-6,8,11H,7H2,(H,19,20)
InChIKeyMSUKDMHOZBSQTE-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-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
CID 79439713
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
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2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
2-(2-chlorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 79434530
3-(3-chloro-4-fluorophenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82134465
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
CID 94734384
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
CID 79439245

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid (CID 103038733) is 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid is O=C(O)C(Cc1ccc(F)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid?
The InChIKey is MSUKDMHOZBSQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-12-4-2-1-3-10(12)11(15(19)20)7-9-5-6-14(18)13(17)8-9/h1-6,8,11H,7H2,(H,19,20).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid?
3-(3-chloro-4-fluorophenyl)-2-(2-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-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid is sourced from PubChem (CID 103038733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).