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

C15H13FO3 — CID 82044897

IUPAC2-[3-(3-fluorophenyl)phenoxy]propanoic acid
SMILESCC(Oc1cccc(-c2cccc(F)c2)c1)C(=O)O
InChIInChI=1S/C15H13FO3/c1-10(15(17)18)19-14-7-3-5-12(9-14)11-4-2-6-13(16)8-11/h2-10H,1H3,(H,17,18)
InChIKeyLBLLSUAJXIGYLN-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.34
Rot. Bonds4

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

2-[3-(3-fluorophenyl)phenoxy]propanoic acid (PubChem CID 82044897) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)phenoxy]propanoic acid
PubChem CID82044897
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-[3-(3-fluorophenyl)phenoxy]propanoic acid
SMILESCC(Oc1cccc(-c2cccc(F)c2)c1)C(=O)O
InChIInChI=1S/C15H13FO3/c1-10(15(17)18)19-14-7-3-5-12(9-14)11-4-2-6-13(16)8-11/h2-10H,1H3,(H,17,18)
InChIKeyLBLLSUAJXIGYLN-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
2-[3-(2-methylphenyl)phenoxy]propanoic acid
CID 82044805
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
3-fluorobenzonitrile;2-(4-hydroxyphenoxy)propanoic acid
CID 157355506

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)phenoxy]propanoic acid?
The IUPAC name of 2-[3-(3-fluorophenyl)phenoxy]propanoic acid (CID 82044897) is 2-[3-(3-fluorophenyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[3-(3-fluorophenyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[3-(3-fluorophenyl)phenoxy]propanoic acid is CC(Oc1cccc(-c2cccc(F)c2)c1)C(=O)O.
What is the InChIKey of 2-[3-(3-fluorophenyl)phenoxy]propanoic acid?
The InChIKey is LBLLSUAJXIGYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10(15(17)18)19-14-7-3-5-12(9-14)11-4-2-6-13(16)8-11/h2-10H,1H3,(H,17,18).
What are the key properties of 2-[3-(3-fluorophenyl)phenoxy]propanoic acid?
2-[3-(3-fluorophenyl)phenoxy]propanoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)phenoxy]propanoic acid is sourced from PubChem (CID 82044897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).