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

C11H14O — CID 590291

IUPAC1-(2,3,4-trimethylphenyl)ethanone
SMILESCC(=O)c1ccc(C)c(C)c1C
InChIInChI=1S/C11H14O/c1-7-5-6-11(10(4)12)9(3)8(7)2/h5-6H,1-4H3
InChIKeyRVPPPQUJELLLDP-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.81
Rot. Bonds1

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

1-(2,3,4-trimethylphenyl)ethanone (PubChem CID 590291) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(2,3,4-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3,4-trimethylphenyl)ethanone
PubChem CID590291
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-(2,3,4-trimethylphenyl)ethanone
SMILESCC(=O)c1ccc(C)c(C)c1C
InChIInChI=1S/C11H14O/c1-7-5-6-11(10(4)12)9(3)8(7)2/h5-6H,1-4H3
InChIKeyRVPPPQUJELLLDP-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3,4-dimethylphenyl)ethanone
CID 90395223
1-(2-acetyl-3,4-dimethylphenyl)ethanone;methane
CID 175205419
1-(4-fluoro-2,3-dimethylphenyl)ethanone
CID 118993213
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
1-(2,3,4-trimethylphenyl)propan-1-one
CID 19901190
(4-acetyl-2,3-dimethylphenyl)boronic acid
CID 164970177
1-[2,4-dimethyl-3-(trifluoromethyl)phenyl]ethanone
CID 170996569
N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
CID 163590509
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
1-(3-fluoro-2-hydroxy-4-methylphenyl)ethanone
CID 117276578
N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide
CID 14722532

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethylphenyl)ethanone?
The IUPAC name of 1-(2,3,4-trimethylphenyl)ethanone (CID 590291) is 1-(2,3,4-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,3,4-trimethylphenyl)ethanone?
The canonical SMILES for 1-(2,3,4-trimethylphenyl)ethanone is CC(=O)c1ccc(C)c(C)c1C.
What is the InChIKey of 1-(2,3,4-trimethylphenyl)ethanone?
The InChIKey is RVPPPQUJELLLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-7-5-6-11(10(4)12)9(3)8(7)2/h5-6H,1-4H3.
What are the key properties of 1-(2,3,4-trimethylphenyl)ethanone?
1-(2,3,4-trimethylphenyl)ethanone has a molecular weight of 162.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethylphenyl)ethanone is sourced from PubChem (CID 590291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).