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

C16H15FO3 — CID 62030398

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
SMILESCOc1ccc(C(=O)COCc2ccccc2)cc1F
InChIInChI=1S/C16H15FO3/c1-19-16-8-7-13(9-14(16)17)15(18)11-20-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyJVNOWPFAABJTPA-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.23
Rot. Bonds6

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

1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone (PubChem CID 62030398) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
PubChem CID62030398
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
SMILESCOc1ccc(C(=O)COCc2ccccc2)cc1F
InChIInChI=1S/C16H15FO3/c1-19-16-8-7-13(9-14(16)17)15(18)11-20-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyJVNOWPFAABJTPA-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
CID 146009381
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7546510
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 60656990
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone (CID 62030398) is 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone is COc1ccc(C(=O)COCc2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone?
The InChIKey is JVNOWPFAABJTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-16-8-7-13(9-14(16)17)15(18)11-20-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone?
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone has a molecular weight of 274.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 62030398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).