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

C16H15FO — CID 146006893

IUPAC1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1c(F)cccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H15FO/c1-12-14(8-5-9-15(12)17)16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyGSAGXRPETUUKJC-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.95
Rot. Bonds4

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

1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one (PubChem CID 146006893) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
PubChem CID146006893
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1c(F)cccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H15FO/c1-12-14(8-5-9-15(12)17)16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyGSAGXRPETUUKJC-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009091
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009039
2-fluoro-6-(3-phenylpropanoyl)benzonitrile
CID 146010437
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
1-(3-fluoro-2-methylphenyl)-3-methylbut-3-en-1-one
CID 130901661
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
3-phenyl-1-(2,4,5-trihydroxy-3-methoxyphenyl)propan-1-one
CID 162898862

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one (CID 146006893) is 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one is Cc1c(F)cccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is GSAGXRPETUUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-12-14(8-5-9-15(12)17)16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one?
1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 242.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 146006893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).