2-methyl-2H-1-benzofuran-4-one

C9H8O2 — CID 21326096

IUPAC2-methyl-2H-1-benzofuran-4-one
SMILESCC1C=C2C(=O)C=CC=C2O1
InChIInChI=1S/C9H8O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-6H,1H3
InChIKeyPPLFLCRFFZRKRK-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.35
Rot. Bonds

About 2-methyl-2H-1-benzofuran-4-one

2-methyl-2H-1-benzofuran-4-one (PubChem CID 21326096) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methyl-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methyl-2H-1-benzofuran-4-one
PubChem CID21326096
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-methyl-2H-1-benzofuran-4-one
SMILESCC1C=C2C(=O)C=CC=C2O1
InChIInChI=1S/C9H8O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-6H,1H3
InChIKeyPPLFLCRFFZRKRK-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-1-benzofuran-4-one?
The IUPAC name of 2-methyl-2H-1-benzofuran-4-one (CID 21326096) is 2-methyl-2H-1-benzofuran-4-one.
What is the SMILES notation for 2-methyl-2H-1-benzofuran-4-one?
The canonical SMILES for 2-methyl-2H-1-benzofuran-4-one is CC1C=C2C(=O)C=CC=C2O1.
What is the InChIKey of 2-methyl-2H-1-benzofuran-4-one?
The InChIKey is PPLFLCRFFZRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-6H,1H3.
What are the key properties of 2-methyl-2H-1-benzofuran-4-one?
2-methyl-2H-1-benzofuran-4-one has a molecular weight of 148.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-1-benzofuran-4-one is sourced from PubChem (CID 21326096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).