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

C20H24O — CID 63491622

IUPAC2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(CC(C)C)cc2)cc1C
InChIInChI=1S/C20H24O/c1-14(2)11-17-7-9-19(10-8-17)20(21)13-18-6-5-15(3)16(4)12-18/h5-10,12,14H,11,13H2,1-4H3
InChIKeyILGLFRRMJFFUKD-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.93
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone (PubChem CID 63491622) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
PubChem CID63491622
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(CC(C)C)cc2)cc1C
InChIInChI=1S/C20H24O/c1-14(2)11-17-7-9-19(10-8-17)20(21)13-18-6-5-15(3)16(4)12-18/h5-10,12,14H,11,13H2,1-4H3
InChIKeyILGLFRRMJFFUKD-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 158448054
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone (CID 63491622) is 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone is Cc1ccc(CC(=O)c2ccc(CC(C)C)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone?
The InChIKey is ILGLFRRMJFFUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-14(2)11-17-7-9-19(10-8-17)20(21)13-18-6-5-15(3)16(4)12-18/h5-10,12,14H,11,13H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone?
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 63491622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).