1-(2,4,6-trimethylphenyl)ethanone;hydrochloride

C11H15ClO — CID 131862336

IUPAC1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
SMILESCC(=O)c1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C11H14O.ClH/c1-7-5-8(2)11(10(4)12)9(3)6-7;/h5-6H,1-4H3;1H
InChIKeyTZIQQTZVKVLSRS-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.24
Rot. Bonds1

About 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride

1-(2,4,6-trimethylphenyl)ethanone;hydrochloride (PubChem CID 131862336) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
PubChem CID131862336
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
SMILESCC(=O)c1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C11H14O.ClH/c1-7-5-8(2)11(10(4)12)9(3)6-7;/h5-6H,1-4H3;1H
InChIKeyTZIQQTZVKVLSRS-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menadione
CID 4055
Acetophenone
CID 7410
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
p-METHYLACETOPHENONE
CID 8500
2-Methylanthraquinone
CID 6773
2,4,6-Trimethylbenzaldehyde
CID 10254
2,4-Dimethylacetophenone
CID 6985

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride (CID 131862336) is 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride is CC(=O)c1c(C)cc(C)cc1C.Cl.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride?
The InChIKey is TZIQQTZVKVLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.ClH/c1-7-5-8(2)11(10(4)12)9(3)6-7;/h5-6H,1-4H3;1H.
What are the key properties of 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride?
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride has a molecular weight of 198.69 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 131862336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).