2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid

C15H12ClFO3 — CID 57400967

IUPAC2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-3-7-13(8-4-11)20-14(15(18)19)9-10-1-5-12(17)6-2-10/h1-8,14H,9H2,(H,18,19)
InChIKeySMVSZIQBLBEBJB-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.55
Rot. Bonds5

About 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid

2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid (PubChem CID 57400967) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
PubChem CID57400967
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-3-7-13(8-4-11)20-14(15(18)19)9-10-1-5-12(17)6-2-10/h1-8,14H,9H2,(H,18,19)
InChIKeySMVSZIQBLBEBJB-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
CID 91594906
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid
CID 100532922
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2S)-3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid
CID 7453420

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid (CID 57400967) is 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(F)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid?
The InChIKey is SMVSZIQBLBEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c16-11-3-7-13(8-4-11)20-14(15(18)19)9-10-1-5-12(17)6-2-10/h1-8,14H,9H2,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid has a molecular weight of 294.71 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 57400967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).