3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid

C15H12ClFO3 — CID 171854743

IUPAC3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-3-6-13(14(17)9-11)10-1-4-12(5-2-10)20-8-7-15(18)19/h1-6,9H,7-8H2,(H,18,19)
InChIKeyJELACRUQHWTFSM-UHFFFAOYSA-N
MW294.71 g/mol
LogP4.00
Rot. Bonds5

About 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid

3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid (PubChem CID 171854743) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid
PubChem CID171854743
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H12ClFO3/c16-11-3-6-13(14(17)9-11)10-1-4-12(5-2-10)20-8-7-15(18)19/h1-6,9H,7-8H2,(H,18,19)
InChIKeyJELACRUQHWTFSM-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(5-chloro-2-fluorophenyl)phenoxy]propanoic acid
CID 171854747
(4E)-4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 18364147
CID 131885829
CID 131885829
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
4-(4-decoxyphenyl)-3-fluorobenzoic acid
CID 15156905
3-[4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]propanoic acid
CID 52614200
3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
CID 166242302
3-[4-(3,4-dimethylphenyl)phenoxy]propanoic acid
CID 39369403
2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
CID 82042352
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid?
The IUPAC name of 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid (CID 171854743) is 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid?
The canonical SMILES for 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid is O=C(O)CCOc1ccc(-c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid?
The InChIKey is JELACRUQHWTFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c16-11-3-6-13(14(17)9-11)10-1-4-12(5-2-10)20-8-7-15(18)19/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid?
3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid has a molecular weight of 294.71 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chloro-2-fluorophenyl)phenoxy]propanoic acid is sourced from PubChem (CID 171854743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).