1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone

C16H15FO3 — CID 43161531

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H15FO3/c1-19-13-5-3-4-11(8-13)9-15(18)14-10-12(17)6-7-16(14)20-2/h3-8,10H,9H2,1-2H3
InChIKeyYJXIGZDJOFUPOJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.27
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone

1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 43161531) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID43161531
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H15FO3/c1-19-13-5-3-4-11(8-13)9-15(18)14-10-12(17)6-7-16(14)20-2/h3-8,10H,9H2,1-2H3
InChIKeyYJXIGZDJOFUPOJ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (CID 43161531) is 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2cc(F)ccc2OC)c1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is YJXIGZDJOFUPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-13-5-3-4-11(8-13)9-15(18)14-10-12(17)6-7-16(14)20-2/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 274.29 g/mol, XLogP of 3.27, 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-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 43161531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).