3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one

C17H17FO3 — CID 116751347

IUPAC3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
SMILESCOc1ccc(CC(=O)C(OC)c2ccccc2)cc1F
InChIInChI=1S/C17H17FO3/c1-20-16-9-8-12(10-14(16)18)11-15(19)17(21-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3
InChIKeyNQPUAIWVKLBNOC-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.33
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one

3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one (PubChem CID 116751347) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
PubChem CID116751347
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
SMILESCOc1ccc(CC(=O)C(OC)c2ccccc2)cc1F
InChIInChI=1S/C17H17FO3/c1-20-16-9-8-12(10-14(16)18)11-15(19)17(21-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3
InChIKeyNQPUAIWVKLBNOC-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-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

2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
CID 116707093
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609750
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667519
1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66052472
1-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586735
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
3-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 66059844
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
CID 116708613
1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116555256

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one (CID 116751347) is 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one is COc1ccc(CC(=O)C(OC)c2ccccc2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one?
The InChIKey is NQPUAIWVKLBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-16-9-8-12(10-14(16)18)11-15(19)17(21-2)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one?
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one has a molecular weight of 288.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one is sourced from PubChem (CID 116751347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).