1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one

C17H17FO2 — CID 104793411

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(C)cc2)c1F
InChIInChI=1S/C17H17FO2/c1-12-6-8-13(9-7-12)10-15(19)11-14-4-3-5-16(20-2)17(14)18/h3-9H,10-11H2,1-2H3
InChIKeyPKXGAPHRKJZMFR-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one

1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one (PubChem CID 104793411) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
PubChem CID104793411
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(C)cc2)c1F
InChIInChI=1S/C17H17FO2/c1-12-6-8-13(9-7-12)10-15(19)11-14-4-3-5-16(20-2)17(14)18/h3-9H,10-11H2,1-2H3
InChIKeyPKXGAPHRKJZMFR-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 113453730
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 116555997
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 104793476
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one (CID 104793411) is 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one is COc1cccc(CC(=O)Cc2ccc(C)cc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one?
The InChIKey is PKXGAPHRKJZMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12-6-8-13(9-7-12)10-15(19)11-14-4-3-5-16(20-2)17(14)18/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one?
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one has a molecular weight of 272.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 104793411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).