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

C17H17FO2 — CID 91755550

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccc2C)cc1F
InChIInChI=1S/C17H17FO2/c1-12-5-3-4-6-13(12)7-9-16(19)14-8-10-17(20-2)15(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyBLDHDDGUBKQQMZ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.96
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one (PubChem CID 91755550) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
PubChem CID91755550
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccc2C)cc1F
InChIInChI=1S/C17H17FO2/c1-12-5-3-4-6-13(12)7-9-16(19)14-8-10-17(20-2)15(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyBLDHDDGUBKQQMZ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 53417192
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
CID 53415620
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one (CID 91755550) is 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one is COc1ccc(C(=O)CCc2ccccc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is BLDHDDGUBKQQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12-5-3-4-6-13(12)7-9-16(19)14-8-10-17(20-2)15(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one?
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 272.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 91755550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).