1-(5-ethenyl-2-methylphenyl)ethanone

C11H12O — CID 143958265

IUPAC1-(5-ethenyl-2-methylphenyl)ethanone
SMILESC=Cc1ccc(C)c(C(C)=O)c1
InChIInChI=1S/C11H12O/c1-4-10-6-5-8(2)11(7-10)9(3)12/h4-7H,1H2,2-3H3
InChIKeyVTDYOTRWLLZDGN-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.84
Rot. Bonds2

About 1-(5-ethenyl-2-methylphenyl)ethanone

1-(5-ethenyl-2-methylphenyl)ethanone (PubChem CID 143958265) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(5-ethenyl-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethenyl-2-methylphenyl)ethanone
PubChem CID143958265
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1-(5-ethenyl-2-methylphenyl)ethanone
SMILESC=Cc1ccc(C)c(C(C)=O)c1
InChIInChI=1S/C11H12O/c1-4-10-6-5-8(2)11(7-10)9(3)12/h4-7H,1H2,2-3H3
InChIKeyVTDYOTRWLLZDGN-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-2-methylphenyl)ethanone?
The IUPAC name of 1-(5-ethenyl-2-methylphenyl)ethanone (CID 143958265) is 1-(5-ethenyl-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-ethenyl-2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-ethenyl-2-methylphenyl)ethanone is C=Cc1ccc(C)c(C(C)=O)c1.
What is the InChIKey of 1-(5-ethenyl-2-methylphenyl)ethanone?
The InChIKey is VTDYOTRWLLZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-4-10-6-5-8(2)11(7-10)9(3)12/h4-7H,1H2,2-3H3.
What are the key properties of 1-(5-ethenyl-2-methylphenyl)ethanone?
1-(5-ethenyl-2-methylphenyl)ethanone has a molecular weight of 160.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-2-methylphenyl)ethanone is sourced from PubChem (CID 143958265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).