2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone

C16H15FO — CID 54958156

IUPAC2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO/c1-11-3-4-12(2)14(9-11)10-16(18)13-5-7-15(17)8-6-13/h3-9H,10H2,1-2H3
InChIKeyBSZRZWMCYSKKPN-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.87
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone

2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone (PubChem CID 54958156) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
PubChem CID54958156
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO/c1-11-3-4-12(2)14(9-11)10-16(18)13-5-7-15(17)8-6-13/h3-9H,10H2,1-2H3
InChIKeyBSZRZWMCYSKKPN-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
CID 106876875
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029336

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone (CID 54958156) is 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone is Cc1ccc(C)c(CC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone?
The InChIKey is BSZRZWMCYSKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-11-3-4-12(2)14(9-11)10-16(18)13-5-7-15(17)8-6-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone has a molecular weight of 242.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 54958156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).