2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone

C17H17FO — CID 55186589

IUPAC2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H17FO/c1-11-4-5-12(2)15(8-11)10-17(19)14-6-7-16(18)13(3)9-14/h4-9H,10H2,1-3H3
InChIKeyGWSSOTVMAMVMNZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.18
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone

2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 55186589) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID55186589
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H17FO/c1-11-4-5-12(2)15(8-11)10-17(19)14-6-7-16(18)13(3)9-14/h4-9H,10H2,1-3H3
InChIKeyGWSSOTVMAMVMNZ-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726352
2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
CID 106876875
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 116548661

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 55186589) is 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is GWSSOTVMAMVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-4-5-12(2)15(8-11)10-17(19)14-6-7-16(18)13(3)9-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 256.32 g/mol, XLogP of 4.18, 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-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 55186589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).