1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone

C18H18F2O — CID 114966095

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2cc(C)c(F)cc2F)c(C)c1
InChIInChI=1S/C18H18F2O/c1-10-5-11(2)14(12(3)6-10)8-18(21)15-7-13(4)16(19)9-17(15)20/h5-7,9H,8H2,1-4H3
InChIKeyJYTSZBHREFAIHW-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.62
Rot. Bonds3

About 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 114966095) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID114966095
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2cc(C)c(F)cc2F)c(C)c1
InChIInChI=1S/C18H18F2O/c1-10-5-11(2)14(12(3)6-10)8-18(21)15-7-13(4)16(19)9-17(15)20/h5-7,9H,8H2,1-4H3
InChIKeyJYTSZBHREFAIHW-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 63410206
1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 114967794
1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116597713
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 79732569
ethyl 3-(2,4-difluoro-5-methylphenyl)-3-oxopropanoate
CID 156848320

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 114966095) is 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)c2cc(C)c(F)cc2F)c(C)c1.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is JYTSZBHREFAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-10-5-11(2)14(12(3)6-10)8-18(21)15-7-13(4)16(19)9-17(15)20/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 288.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 114966095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).