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

C16H15FO — CID 43337245

IUPAC1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCc1ccc(C)c(C(=O)Cc2ccccc2F)c1
InChIInChI=1S/C16H15FO/c1-11-7-8-12(2)14(9-11)16(18)10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3
InChIKeyCJRJBADYNOWASC-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.87
Rot. Bonds3

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

1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone (PubChem CID 43337245) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
PubChem CID43337245
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCc1ccc(C)c(C(=O)Cc2ccccc2F)c1
InChIInChI=1S/C16H15FO/c1-11-7-8-12(2)14(9-11)16(18)10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3
InChIKeyCJRJBADYNOWASC-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

1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
2-(2-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 62516230
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803188
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone (CID 43337245) is 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone is Cc1ccc(C)c(C(=O)Cc2ccccc2F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is CJRJBADYNOWASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-11-7-8-12(2)14(9-11)16(18)10-13-5-3-4-6-15(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone?
1-(2,5-dimethylphenyl)-2-(2-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 1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 43337245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).