1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one

C18H19FO2 — CID 104793415

IUPAC1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(C)cc(C)c2)c1F
InChIInChI=1S/C18H19FO2/c1-12-7-13(2)9-14(8-12)10-16(20)11-15-5-4-6-17(21-3)18(15)19/h4-9H,10-11H2,1-3H3
InChIKeyMUHSIEAEEQKOJM-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.81
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one

1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one (PubChem CID 104793415) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
PubChem CID104793415
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(C)cc(C)c2)c1F
InChIInChI=1S/C18H19FO2/c1-12-7-13(2)9-14(8-12)10-16(20)11-15-5-4-6-17(21-3)18(15)19/h4-9H,10-11H2,1-3H3
InChIKeyMUHSIEAEEQKOJM-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
CID 62620288
1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116809971
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
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-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 104793476
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 116555997
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one (CID 104793415) is 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2cc(C)cc(C)c2)c1F.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
The InChIKey is MUHSIEAEEQKOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12-7-13(2)9-14(8-12)10-16(20)11-15-5-4-6-17(21-3)18(15)19/h4-9H,10-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one?
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one has a molecular weight of 286.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 104793415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).