2-(4-methylphenyl)ethenone

C9H8O — CID 12787657

IUPAC2-(4-methylphenyl)ethenone
SMILESCc1ccc(C=C=O)cc1
InChIInChI=1S/C9H8O/c1-8-2-4-9(5-3-8)6-7-10/h2-6H,1H3
InChIKeySDOGCQCEZASWLS-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.84
Rot. Bonds1

About 2-(4-methylphenyl)ethenone

2-(4-methylphenyl)ethenone (PubChem CID 12787657) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethenone.

Molecular Properties

Compound Name2-(4-methylphenyl)ethenone
PubChem CID12787657
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name2-(4-methylphenyl)ethenone
SMILESCc1ccc(C=C=O)cc1
InChIInChI=1S/C9H8O/c1-8-2-4-9(5-3-8)6-7-10/h2-6H,1H3
InChIKeySDOGCQCEZASWLS-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.84
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-(4-methylphenyl)ethenone?
The IUPAC name of 2-(4-methylphenyl)ethenone (CID 12787657) is 2-(4-methylphenyl)ethenone.
What is the SMILES notation for 2-(4-methylphenyl)ethenone?
The canonical SMILES for 2-(4-methylphenyl)ethenone is Cc1ccc(C=C=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethenone?
The InChIKey is SDOGCQCEZASWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c1-8-2-4-9(5-3-8)6-7-10/h2-6H,1H3.
What are the key properties of 2-(4-methylphenyl)ethenone?
2-(4-methylphenyl)ethenone has a molecular weight of 132.16 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethenone is sourced from PubChem (CID 12787657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).