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

C15H12ClFO3 — CID 117245238

IUPAC3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(COc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-2-1-3-13(8-11)20-9-14(15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyJODIZCQTTJAFDA-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.73
Rot. Bonds5

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

3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid (PubChem CID 117245238) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
PubChem CID117245238
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(COc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-2-1-3-13(8-11)20-9-14(15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyJODIZCQTTJAFDA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241019
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
CID 63272958
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid (CID 117245238) is 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid is O=C(O)C(COc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is JODIZCQTTJAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c16-11-2-1-3-13(8-11)20-9-14(15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2,(H,18,19).
What are the key properties of 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid?
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 294.71 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 117245238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).