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

C14H11FO3 — CID 39349094

IUPAC2-[3-(2-fluorophenyl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C14H11FO3/c15-13-7-2-1-6-12(13)10-4-3-5-11(8-10)18-9-14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyJASNBXKQTKPXCW-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.96
Rot. Bonds4

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

2-[3-(2-fluorophenyl)phenoxy]acetic acid (PubChem CID 39349094) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)phenoxy]acetic acid
PubChem CID39349094
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name2-[3-(2-fluorophenyl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2ccccc2F)c1
InChIInChI=1S/C14H11FO3/c15-13-7-2-1-6-12(13)10-4-3-5-11(8-10)18-9-14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyJASNBXKQTKPXCW-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)phenoxy]acetic acid (CID 39349094) is 2-[3-(2-fluorophenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)phenoxy]acetic acid is O=C(O)COc1cccc(-c2ccccc2F)c1.
What is the InChIKey of 2-[3-(2-fluorophenyl)phenoxy]acetic acid?
The InChIKey is JASNBXKQTKPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-13-7-2-1-6-12(13)10-4-3-5-11(8-10)18-9-14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[3-(2-fluorophenyl)phenoxy]acetic acid?
2-[3-(2-fluorophenyl)phenoxy]acetic acid has a molecular weight of 246.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)phenoxy]acetic acid is sourced from PubChem (CID 39349094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).