4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one

C20H24O — CID 91027117

IUPAC4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one
SMILESCCc1ccc(C)c(C(CC(C)=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H24O/c1-5-17-9-8-15(3)19(13-17)20(12-16(4)21)18-10-6-14(2)7-11-18/h6-11,13,20H,5,12H2,1-4H3
InChIKeyOQDJVPUKAAMJAT-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.98
Rot. Bonds5

About 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one

4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one (PubChem CID 91027117) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one
PubChem CID91027117
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one
SMILESCCc1ccc(C)c(C(CC(C)=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H24O/c1-5-17-9-8-15(3)19(13-17)20(12-16(4)21)18-10-6-14(2)7-11-18/h6-11,13,20H,5,12H2,1-4H3
InChIKeyOQDJVPUKAAMJAT-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butan-2-one;ethane;4-ethyl-1,2-dimethylbenzene;2-methylbutane
CID 142121166
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate
CID 71322891
5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene
CID 144520525
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
3-(2,5-dimethylphenyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 142945347

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one?
The IUPAC name of 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one (CID 91027117) is 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one?
The canonical SMILES for 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one is CCc1ccc(C)c(C(CC(C)=O)c2ccc(C)cc2)c1.
What is the InChIKey of 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one?
The InChIKey is OQDJVPUKAAMJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-5-17-9-8-15(3)19(13-17)20(12-16(4)21)18-10-6-14(2)7-11-18/h6-11,13,20H,5,12H2,1-4H3.
What are the key properties of 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one?
4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one has a molecular weight of 280.41 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylphenyl)-4-(4-methylphenyl)butan-2-one is sourced from PubChem (CID 91027117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).