7-hydroxy-4-methyl-3H-2-benzofuran-1-one

C9H8O3 — CID 71384796

IUPAC7-hydroxy-4-methyl-3H-2-benzofuran-1-one
SMILESCc1ccc(O)c2c1COC2=O
InChIInChI=1S/C9H8O3/c1-5-2-3-7(10)8-6(5)4-12-9(8)11/h2-3,10H,4H2,1H3
InChIKeyLSEDBFAOUVOFHX-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.37
Rot. Bonds

About 7-hydroxy-4-methyl-3H-2-benzofuran-1-one

7-hydroxy-4-methyl-3H-2-benzofuran-1-one (PubChem CID 71384796) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-3H-2-benzofuran-1-one
PubChem CID71384796
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name7-hydroxy-4-methyl-3H-2-benzofuran-1-one
SMILESCc1ccc(O)c2c1COC2=O
InChIInChI=1S/C9H8O3/c1-5-2-3-7(10)8-6(5)4-12-9(8)11/h2-3,10H,4H2,1H3
InChIKeyLSEDBFAOUVOFHX-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 7-hydroxy-4-methyl-3H-2-benzofuran-1-one (CID 71384796) is 7-hydroxy-4-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-hydroxy-4-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 7-hydroxy-4-methyl-3H-2-benzofuran-1-one is Cc1ccc(O)c2c1COC2=O.
What is the InChIKey of 7-hydroxy-4-methyl-3H-2-benzofuran-1-one?
The InChIKey is LSEDBFAOUVOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-5-2-3-7(10)8-6(5)4-12-9(8)11/h2-3,10H,4H2,1H3.
What are the key properties of 7-hydroxy-4-methyl-3H-2-benzofuran-1-one?
7-hydroxy-4-methyl-3H-2-benzofuran-1-one has a molecular weight of 164.16 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 71384796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).