2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid

C16H13FO4 — CID 107714446

IUPAC2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid
SMILESCC(=O)c1ccc(OC(C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C16H13FO4/c1-10(18)13-8-7-12(9-14(13)17)21-15(16(19)20)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,19,20)
InChIKeyJFJOYMZXJQSNDU-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid

2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid (PubChem CID 107714446) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid
PubChem CID107714446
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid
SMILESCC(=O)c1ccc(OC(C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C16H13FO4/c1-10(18)13-8-7-12(9-14(13)17)21-15(16(19)20)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,19,20)
InChIKeyJFJOYMZXJQSNDU-UHFFFAOYSA-N
XLogP3.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
1-[4-(3-bromo-2-phenylpropoxy)-2-fluorophenyl]ethanone
CID 107715571
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(3R)-3-(4-acetyl-3-fluorophenoxy)butanoic acid
CID 107714469
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
CID 103338112
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
3-(2-fluoro-4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 102883259
2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 107719421

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid (CID 107714446) is 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid is CC(=O)c1ccc(OC(C(=O)O)c2ccccc2)cc1F.
What is the InChIKey of 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid?
The InChIKey is JFJOYMZXJQSNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-10(18)13-8-7-12(9-14(13)17)21-15(16(19)20)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,19,20).
What are the key properties of 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid?
2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid has a molecular weight of 288.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid is sourced from PubChem (CID 107714446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).