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

C15H12ClFO3 — CID 57395675

IUPAC2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-5-7-12(8-6-11)20-14(15(18)19)9-10-3-1-2-4-13(10)17/h1-8,14H,9H2,(H,18,19)
InChIKeyHVZUYEQXUQHOKT-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.55
Rot. Bonds5

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

2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid (PubChem CID 57395675) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
PubChem CID57395675
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-5-7-12(8-6-11)20-14(15(18)19)9-10-3-1-2-4-13(10)17/h1-8,14H,9H2,(H,18,19)
InChIKeyHVZUYEQXUQHOKT-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-(2-methoxyphenyl)propanoic acid
CID 133240973
(2S)-2-(4-chlorophenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549506
(2S)-2-(4-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100526025
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
(2R)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid (CID 57395675) is 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccccc1F)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is HVZUYEQXUQHOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c16-11-5-7-12(8-6-11)20-14(15(18)19)9-10-3-1-2-4-13(10)17/h1-8,14H,9H2,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid?
2-(4-chlorophenoxy)-3-(2-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-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 57395675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).