1-(6-ethyl-2,3,4-trimethylphenyl)ethanone

C13H18O — CID 134554334

IUPAC1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
SMILESCCc1cc(C)c(C)c(C)c1C(C)=O
InChIInChI=1S/C13H18O/c1-6-12-7-8(2)9(3)10(4)13(12)11(5)14/h7H,6H2,1-5H3
InChIKeyJJVQJMBYTNAEMO-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.38
Rot. Bonds2

About 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone

1-(6-ethyl-2,3,4-trimethylphenyl)ethanone (PubChem CID 134554334) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
PubChem CID134554334
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
SMILESCCc1cc(C)c(C)c(C)c1C(C)=O
InChIInChI=1S/C13H18O/c1-6-12-7-8(2)9(3)10(4)13(12)11(5)14/h7H,6H2,1-5H3
InChIKeyJJVQJMBYTNAEMO-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4055
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1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Celestolide
CID 61585
Anthrone
CID 7018
Tonalide
CID 89440
2-Acetylnaphthalene
CID 7122
2,4,6-Trimethylbenzaldehyde
CID 10254

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone?
The IUPAC name of 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone (CID 134554334) is 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone?
The canonical SMILES for 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone is CCc1cc(C)c(C)c(C)c1C(C)=O.
What is the InChIKey of 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone?
The InChIKey is JJVQJMBYTNAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-6-12-7-8(2)9(3)10(4)13(12)11(5)14/h7H,6H2,1-5H3.
What are the key properties of 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone?
1-(6-ethyl-2,3,4-trimethylphenyl)ethanone has a molecular weight of 190.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2,3,4-trimethylphenyl)ethanone is sourced from PubChem (CID 134554334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).