1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one

C17H17FO — CID 63084504

IUPAC1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)c2ccccc2)ccc1F
InChIInChI=1S/C17H17FO/c1-12-11-13(9-10-15(12)18)16(19)17(2,3)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyOUCFRIAHVLHKCD-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one

1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one (PubChem CID 63084504) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
PubChem CID63084504
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)c2ccccc2)ccc1F
InChIInChI=1S/C17H17FO/c1-12-11-13(9-10-15(12)18)16(19)17(2,3)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyOUCFRIAHVLHKCD-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
N-(1-amino-2-phenylpropan-2-yl)-4-fluoro-3-methylbenzamide
CID 105060363
1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 107475705
4-fluoro-3-methylbenzoic acid;3-methyl-4-methylsulfonylbenzoic acid
CID 161199117
methyl 3-(2-methyl-2-phenylpropanoyl)benzoate
CID 101188691
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
CID 79063038
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 105398381
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 79736291
(2S)-2-[(4-fluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 55163831

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one (CID 63084504) is 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one is Cc1cc(C(=O)C(C)(C)c2ccccc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is OUCFRIAHVLHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-12-11-13(9-10-15(12)18)16(19)17(2,3)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one?
1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 256.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 63084504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).