1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone

C15H13FO3 — CID 91863185

IUPAC1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(O)cc(OCc2ccccc2)cc1F
InChIInChI=1S/C15H13FO3/c1-10(17)15-13(16)7-12(8-14(15)18)19-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3
InChIKeyVWGNDTZLESYRRE-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.31
Rot. Bonds4

About 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone

1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone (PubChem CID 91863185) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
PubChem CID91863185
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(O)cc(OCc2ccccc2)cc1F
InChIInChI=1S/C15H13FO3/c1-10(17)15-13(16)7-12(8-14(15)18)19-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3
InChIKeyVWGNDTZLESYRRE-UHFFFAOYSA-N
XLogP3.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone 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

1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863188
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863489
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
CID 91864206
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
1-(2-fluoro-6-hydroxy-4-phenoxyphenyl)butane-1,3-dione
CID 139885712
1-(5-bromo-3-fluoro-2-methyl-6-phenylmethoxyphenyl)ethanone
CID 91197149
2-(2,6-difluoro-4-phenylmethoxyphenyl)ethanol
CID 134414342
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
2-acetyl-3-amino-5-phenylmethoxybenzonitrile
CID 91863661
1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
CID 157299083
methyl 2-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-4-phenylmethoxybenzoate
CID 163207609

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone (CID 91863185) is 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone is CC(=O)c1c(O)cc(OCc2ccccc2)cc1F.
What is the InChIKey of 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone?
The InChIKey is VWGNDTZLESYRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10(17)15-13(16)7-12(8-14(15)18)19-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3.
What are the key properties of 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone?
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone has a molecular weight of 260.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 91863185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).