2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid

C15H12ClFO2 — CID 176514361

IUPAC2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H12ClFO2/c1-9(15(18)19)10-4-2-5-11(8-10)12-6-3-7-13(16)14(12)17/h2-9H,1H3,(H,18,19)
InChIKeyDSZIIRBQKQBBLS-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.33
Rot. Bonds3

About 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid

2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid (PubChem CID 176514361) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid
PubChem CID176514361
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(-c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H12ClFO2/c1-9(15(18)19)10-4-2-5-11(8-10)12-6-3-7-13(16)14(12)17/h2-9H,1H3,(H,18,19)
InChIKeyDSZIIRBQKQBBLS-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 176514359
2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid
CID 176514362
2-[4-(3-chlorophenyl)-3-fluorophenyl]propanoic acid
CID 11572691
2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid
CID 67459388
2-[3-(2,5-diaminophenyl)phenyl]propanoic acid
CID 70164461
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid (CID 176514361) is 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid is CC(C(=O)O)c1cccc(-c2cccc(Cl)c2F)c1.
What is the InChIKey of 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid?
The InChIKey is DSZIIRBQKQBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-9(15(18)19)10-4-2-5-11(8-10)12-6-3-7-13(16)14(12)17/h2-9H,1H3,(H,18,19).
What are the key properties of 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid?
2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid has a molecular weight of 278.71 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-fluorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 176514361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).