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

C16H15FO3 — CID 43561129

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C16H15FO3/c1-19-12-5-3-4-11(8-12)9-16(18)14-7-6-13(20-2)10-15(14)17/h3-8,10H,9H2,1-2H3
InChIKeyNULRVFXMSXVZQY-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.27
Rot. Bonds5

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

1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 43561129) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID43561129
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C16H15FO3/c1-19-12-5-3-4-11(8-12)9-16(18)14-7-6-13(20-2)10-15(14)17/h3-8,10H,9H2,1-2H3
InChIKeyNULRVFXMSXVZQY-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-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516
1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone
CID 156773535

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (CID 43561129) is 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2ccc(OC)cc2F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is NULRVFXMSXVZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-12-5-3-4-11(8-12)9-16(18)14-7-6-13(20-2)10-15(14)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
1-(2-fluoro-4-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-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 43561129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).