1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone

C16H15FO — CID 114068433

IUPAC1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cccc(C)c1C
InChIInChI=1S/C16H15FO/c1-10-5-4-6-14(11(10)2)16-9-13(17)7-8-15(16)12(3)18/h4-9H,1-3H3
InChIKeyIUMHKVNTPOWDQK-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.31
Rot. Bonds2

About 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone

1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone (PubChem CID 114068433) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
PubChem CID114068433
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cccc(C)c1C
InChIInChI=1S/C16H15FO/c1-10-5-4-6-14(11(10)2)16-9-13(17)7-8-15(16)12(3)18/h4-9H,1-3H3
InChIKeyIUMHKVNTPOWDQK-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
1-[2-(4-fluoro-2-methylphenyl)phenyl]ethanone
CID 54912608
1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068685
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544
1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802
1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647081
1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
CID 114068675
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
1-[2-(2-chloro-4-fluorophenyl)phenyl]ethanone
CID 115504911
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]ethanone
CID 121497770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone (CID 114068433) is 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1-c1cccc(C)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone?
The InChIKey is IUMHKVNTPOWDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-10-5-4-6-14(11(10)2)16-9-13(17)7-8-15(16)12(3)18/h4-9H,1-3H3.
What are the key properties of 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone?
1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone has a molecular weight of 242.29 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 114068433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).