(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one

C16H15FO2 — CID 102007024

IUPAC(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one
SMILESCO[C@@H](CC(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H15FO2/c1-19-16(13-9-5-6-10-14(13)17)11-15(18)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyVSVZRFRIZVMTOL-INIZCTEOSA-N
MW258.29 g/mol
LogP3.79
Rot. Bonds5

About (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one

(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one (PubChem CID 102007024) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one
PubChem CID102007024
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one
SMILESCO[C@@H](CC(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C16H15FO2/c1-19-16(13-9-5-6-10-14(13)17)11-15(18)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyVSVZRFRIZVMTOL-INIZCTEOSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one 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

(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
CID 157458679
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
CID 162412493
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
3-(2-bromophenyl)-3-methoxypropanoic acid
CID 83844316
N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 132992712
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
tris(2-fluorophenyl)-phenacylphosphanium
CID 139734420
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
[(1R)-1-(2-fluorophenyl)-2-sulfamoylethyl] 2-methoxy-2-phenylacetate
CID 71060519
[(1R)-1-(2-fluorophenyl)-3-methoxypropyl] carbamate
CID 175407135

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one?
The IUPAC name of (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one (CID 102007024) is (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one is CO[C@@H](CC(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one?
The InChIKey is VSVZRFRIZVMTOL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FO2/c1-19-16(13-9-5-6-10-14(13)17)11-15(18)12-7-3-2-4-8-12/h2-10,16H,11H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one?
(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one has a molecular weight of 258.29 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one is sourced from PubChem (CID 102007024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).