6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid

C16H13FO4 — CID 91863726

IUPAC6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
SMILESCC(=O)c1ccc(OCc2ccccc2)c(F)c1C(=O)O
InChIInChI=1S/C16H13FO4/c1-10(18)12-7-8-13(15(17)14(12)16(19)20)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyUNRVNLWRAXYVTJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.31
Rot. Bonds5

About 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid

6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid (PubChem CID 91863726) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
PubChem CID91863726
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
SMILESCC(=O)c1ccc(OCc2ccccc2)c(F)c1C(=O)O
InChIInChI=1S/C16H13FO4/c1-10(18)12-7-8-13(15(17)14(12)16(19)20)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyUNRVNLWRAXYVTJ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-acetyl-2-fluoro-3-phenylmethoxybenzoate
CID 91864113
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
2-bromo-1-(2-fluoro-3-phenylmethoxyphenyl)ethanone;1-(2-fluoro-3-phenylmethoxyphenyl)ethanone
CID 157334885
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
CID 155293763

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid?
The IUPAC name of 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid (CID 91863726) is 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid?
The canonical SMILES for 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid is CC(=O)c1ccc(OCc2ccccc2)c(F)c1C(=O)O.
What is the InChIKey of 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid?
The InChIKey is UNRVNLWRAXYVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-10(18)12-7-8-13(15(17)14(12)16(19)20)21-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid?
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid has a molecular weight of 288.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 91863726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).