2-(2,4,6-trimethylphenyl)ethenone

C11H12O — CID 57289920

IUPAC2-(2,4,6-trimethylphenyl)ethenone
SMILESCc1cc(C)c(C=C=O)c(C)c1
InChIInChI=1S/C11H12O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h4,6-7H,1-3H3
InChIKeyYNINVMDUBBYIKR-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.46
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)ethenone

2-(2,4,6-trimethylphenyl)ethenone (PubChem CID 57289920) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)ethenone.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)ethenone
PubChem CID57289920
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-(2,4,6-trimethylphenyl)ethenone
SMILESCc1cc(C)c(C=C=O)c(C)c1
InChIInChI=1S/C11H12O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h4,6-7H,1-3H3
InChIKeyYNINVMDUBBYIKR-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)ethenone?
The IUPAC name of 2-(2,4,6-trimethylphenyl)ethenone (CID 57289920) is 2-(2,4,6-trimethylphenyl)ethenone.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)ethenone?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)ethenone is Cc1cc(C)c(C=C=O)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)ethenone?
The InChIKey is YNINVMDUBBYIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h4,6-7H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)ethenone?
2-(2,4,6-trimethylphenyl)ethenone has a molecular weight of 160.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)ethenone is sourced from PubChem (CID 57289920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).