2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone

C16H15FO3 — CID 104793354

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc(OC)c2F)cc1
InChIInChI=1S/C16H15FO3/c1-19-13-8-6-11(7-9-13)14(18)10-12-4-3-5-15(20-2)16(12)17/h3-9H,10H2,1-2H3
InChIKeyIILLWFSOCYQBCA-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.27
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone

2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone (PubChem CID 104793354) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
PubChem CID104793354
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc(OC)c2F)cc1
InChIInChI=1S/C16H15FO3/c1-19-13-8-6-11(7-9-13)14(18)10-12-4-3-5-15(20-2)16(12)17/h3-9H,10H2,1-2H3
InChIKeyIILLWFSOCYQBCA-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-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 106847880
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433
1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 103214368
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800291
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
3-(2-amino-3-methoxyphenyl)-1-(4-fluorophenyl)propan-1-one
CID 11372612
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone (CID 104793354) is 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2cccc(OC)c2F)cc1.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is IILLWFSOCYQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-13-8-6-11(7-9-13)14(18)10-12-4-3-5-15(20-2)16(12)17/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone?
2-(2-fluoro-3-methoxyphenyl)-1-(4-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 2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 104793354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).