1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one

C16H15FO — CID 115502807

IUPAC1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cccc(F)c2C)cc1
InChIInChI=1S/C16H15FO/c1-3-16(18)13-9-7-12(8-10-13)14-5-4-6-15(17)11(14)2/h4-10H,3H2,1-2H3
InChIKeyVIHFAUMVJCHFMB-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.39
Rot. Bonds3

About 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one

1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one (PubChem CID 115502807) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one
PubChem CID115502807
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cccc(F)c2C)cc1
InChIInChI=1S/C16H15FO/c1-3-16(18)13-9-7-12(8-10-13)14-5-4-6-15(17)11(14)2/h4-10H,3H2,1-2H3
InChIKeyVIHFAUMVJCHFMB-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
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N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
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1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
ethyl 2-(4-ethoxycarbonylphenyl)-6-fluorobenzoate
CID 102026387
2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
CID 113324468
1-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]propan-1-one
CID 82540854
N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide
CID 163430114
(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid
CID 82544074
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
CID 53225530
5-(3-fluoro-2-methylphenyl)-2-methylphenol
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one (CID 115502807) is 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2cccc(F)c2C)cc1.
What is the InChIKey of 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one?
The InChIKey is VIHFAUMVJCHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-3-16(18)13-9-7-12(8-10-13)14-5-4-6-15(17)11(14)2/h4-10H,3H2,1-2H3.
What are the key properties of 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one?
1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one has a molecular weight of 242.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one is sourced from PubChem (CID 115502807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).