7-methyl-3H-2-benzofuran-1-one

C9H8O2 — CID 638757

IUPAC7-methyl-3H-2-benzofuran-1-one
SMILESCc1cccc2c1C(=O)OC2
InChIInChI=1S/C9H8O2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-4H,5H2,1H3
InChIKeyQSLQEQHQWZHUEW-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.67
Rot. Bonds

About 7-methyl-3H-2-benzofuran-1-one

7-methyl-3H-2-benzofuran-1-one (PubChem CID 638757) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 7-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-methyl-3H-2-benzofuran-1-one
PubChem CID638757
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name7-methyl-3H-2-benzofuran-1-one
SMILESCc1cccc2c1C(=O)OC2
InChIInChI=1S/C9H8O2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-4H,5H2,1H3
InChIKeyQSLQEQHQWZHUEW-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 7-methyl-3H-2-benzofuran-1-one (CID 638757) is 7-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 7-methyl-3H-2-benzofuran-1-one is Cc1cccc2c1C(=O)OC2.
What is the InChIKey of 7-methyl-3H-2-benzofuran-1-one?
The InChIKey is QSLQEQHQWZHUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-4H,5H2,1H3.
What are the key properties of 7-methyl-3H-2-benzofuran-1-one?
7-methyl-3H-2-benzofuran-1-one has a molecular weight of 148.16 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 638757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).