1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone

C15H13FO — CID 175686721

IUPAC1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-c1cccc(C)c1
InChIInChI=1S/C15H13FO/c1-10-5-3-6-12(9-10)13-7-4-8-14(16)15(13)11(2)17/h3-9H,1-2H3
InChIKeyOWZPGDDGDMLNDB-UHFFFAOYSA-N
MW228.27 g/mol
LogP4.00
Rot. Bonds2

About 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone

1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone (PubChem CID 175686721) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
PubChem CID175686721
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1-c1cccc(C)c1
InChIInChI=1S/C15H13FO/c1-10-5-3-6-12(9-10)13-7-4-8-14(16)15(13)11(2)17/h3-9H,1-2H3
InChIKeyOWZPGDDGDMLNDB-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone (CID 175686721) is 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone is CC(=O)c1c(F)cccc1-c1cccc(C)c1.
What is the InChIKey of 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone?
The InChIKey is OWZPGDDGDMLNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-5-3-6-12(9-10)13-7-4-8-14(16)15(13)11(2)17/h3-9H,1-2H3.
What are the key properties of 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone?
1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone has a molecular weight of 228.27 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone is sourced from PubChem (CID 175686721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).