3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one

C15H18O — CID 83390782

IUPAC3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
SMILESCc1cc(C)c(C2=CC(=O)CCC2)c(C)c1
InChIInChI=1S/C15H18O/c1-10-7-11(2)15(12(3)8-10)13-5-4-6-14(16)9-13/h7-9H,4-6H2,1-3H3
InChIKeyURGYWETVGIABOG-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.75
Rot. Bonds1

About 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one

3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one (PubChem CID 83390782) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
PubChem CID83390782
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
SMILESCc1cc(C)c(C2=CC(=O)CCC2)c(C)c1
InChIInChI=1S/C15H18O/c1-10-7-11(2)15(12(3)8-10)13-5-4-6-14(16)9-13/h7-9H,4-6H2,1-3H3
InChIKeyURGYWETVGIABOG-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dimethylphenyl)cyclohex-2-en-1-one
CID 23529827
3-(2,4-dimethylphenyl)cyclohept-2-en-1-one
CID 107382852
2-(cyclohexen-1-yl)-1,3,5-trimethylbenzene
CID 135055760
3-(2-methylphenyl)cyclohex-2-en-1-one
CID 53254684
2-amino-4-methyl-3-(3-oxocyclohexen-1-yl)benzoic acid
CID 121470847
3-(3,5-dimethylanilino)cyclohex-2-en-1-one
CID 1280882
3-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 22758242
ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 144636077
2,4-dimethyl-1-(3-methylidenecyclohexen-1-yl)benzene
CID 23529813
3-(3-aminophenyl)cyclohex-2-en-1-one
CID 82647397
3-(2-methylsulfanylphenyl)cyclohex-2-en-1-one
CID 86216914
3-methoxy(213C)cyclohex-2-en-1-one
CID 11789224

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one (CID 83390782) is 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one is Cc1cc(C)c(C2=CC(=O)CCC2)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
The InChIKey is URGYWETVGIABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-10-7-11(2)15(12(3)8-10)13-5-4-6-14(16)9-13/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one?
3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 83390782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).