1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone

C16H15FO3 — CID 116751569

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
SMILESCOc1ccc(F)cc1C(=O)C(OC)c1ccccc1
InChIInChI=1S/C16H15FO3/c1-19-14-9-8-12(17)10-13(14)15(18)16(20-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyMUBYIWUFDWCRII-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.40
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone

1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone (PubChem CID 116751569) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
PubChem CID116751569
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
SMILESCOc1ccc(F)cc1C(=O)C(OC)c1ccccc1
InChIInChI=1S/C16H15FO3/c1-19-14-9-8-12(17)10-13(14)15(18)16(20-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3
InChIKeyMUBYIWUFDWCRII-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
CID 116751452
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
CID 11673282
2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
CID 82124582
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116707692
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide
CID 56782949

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone (CID 116751569) is 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone is COc1ccc(F)cc1C(=O)C(OC)c1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone?
The InChIKey is MUBYIWUFDWCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-14-9-8-12(17)10-13(14)15(18)16(20-2)11-6-4-3-5-7-11/h3-10,16H,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone has a molecular weight of 274.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone is sourced from PubChem (CID 116751569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).