1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone

C15H13FO — CID 54912743

IUPAC1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C)ccc2F)c1
InChIInChI=1S/C15H13FO/c1-10-6-7-15(16)14(8-10)13-5-3-4-12(9-13)11(2)17/h3-9H,1-2H3
InChIKeyIVCRZKVINBETEZ-UHFFFAOYSA-N
MW228.27 g/mol
LogP4.00
Rot. Bonds2

About 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone

1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone (PubChem CID 54912743) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
PubChem CID54912743
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(C)ccc2F)c1
InChIInChI=1S/C15H13FO/c1-10-6-7-15(16)14(8-10)13-5-3-4-12(9-13)11(2)17/h3-9H,1-2H3
InChIKeyIVCRZKVINBETEZ-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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Related Compounds

methyl 3-(2-fluoro-5-methylphenyl)benzoate
CID 75488323
1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone
CID 62964604
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
1-[3-(4-fluoro-3-hydroxyphenyl)phenyl]ethanone
CID 53219389
1-[3-(2,5-dichlorophenyl)phenyl]ethanone
CID 39232724
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828
2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
CID 53211098
1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
CID 175686721
1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone
CID 177459934
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone (CID 54912743) is 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone is CC(=O)c1cccc(-c2cc(C)ccc2F)c1.
What is the InChIKey of 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone?
The InChIKey is IVCRZKVINBETEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-6-7-15(16)14(8-10)13-5-3-4-12(9-13)11(2)17/h3-9H,1-2H3.
What are the key properties of 1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone?
1-[3-(2-fluoro-5-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-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone is sourced from PubChem (CID 54912743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).