2-methyl-1-benzofuran-3-one

C9H8O2 — CID 590459

IUPAC2-methyl-1-benzofuran-3-one
SMILESCC1Oc2ccccc2C1=O
InChIInChI=1S/C9H8O2/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-6H,1H3
InChIKeyMYTWWWDXTTVMIE-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.65
Rot. Bonds

About 2-methyl-1-benzofuran-3-one

2-methyl-1-benzofuran-3-one (PubChem CID 590459) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name2-methyl-1-benzofuran-3-one
PubChem CID590459
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-methyl-1-benzofuran-3-one
SMILESCC1Oc2ccccc2C1=O
InChIInChI=1S/C9H8O2/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-6H,1H3
InChIKeyMYTWWWDXTTVMIE-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran-3-one?
The IUPAC name of 2-methyl-1-benzofuran-3-one (CID 590459) is 2-methyl-1-benzofuran-3-one.
What is the SMILES notation for 2-methyl-1-benzofuran-3-one?
The canonical SMILES for 2-methyl-1-benzofuran-3-one is CC1Oc2ccccc2C1=O.
What is the InChIKey of 2-methyl-1-benzofuran-3-one?
The InChIKey is MYTWWWDXTTVMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-6H,1H3.
What are the key properties of 2-methyl-1-benzofuran-3-one?
2-methyl-1-benzofuran-3-one has a molecular weight of 148.16 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-benzofuran-3-one is sourced from PubChem (CID 590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).