6-methoxy-3-methyl-2-benzofuran-4,5-dione

C10H8O4 — CID 10261969

IUPAC6-methoxy-3-methyl-2-benzofuran-4,5-dione
SMILESCOC1=Cc2coc(C)c2C(=O)C1=O
InChIInChI=1S/C10H8O4/c1-5-8-6(4-14-5)3-7(13-2)9(11)10(8)12/h3-4H,1-2H3
InChIKeySJJQVWSHTVOEAB-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.34
Rot. Bonds1

About 6-methoxy-3-methyl-2-benzofuran-4,5-dione

6-methoxy-3-methyl-2-benzofuran-4,5-dione (PubChem CID 10261969) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2-benzofuran-4,5-dione.

Molecular Properties

Compound Name6-methoxy-3-methyl-2-benzofuran-4,5-dione
PubChem CID10261969
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name6-methoxy-3-methyl-2-benzofuran-4,5-dione
SMILESCOC1=Cc2coc(C)c2C(=O)C1=O
InChIInChI=1S/C10H8O4/c1-5-8-6(4-14-5)3-7(13-2)9(11)10(8)12/h3-4H,1-2H3
InChIKeySJJQVWSHTVOEAB-UHFFFAOYSA-N
XLogP1.34
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-2-benzofuran-4,5-dione?
The IUPAC name of 6-methoxy-3-methyl-2-benzofuran-4,5-dione (CID 10261969) is 6-methoxy-3-methyl-2-benzofuran-4,5-dione.
What is the SMILES notation for 6-methoxy-3-methyl-2-benzofuran-4,5-dione?
The canonical SMILES for 6-methoxy-3-methyl-2-benzofuran-4,5-dione is COC1=Cc2coc(C)c2C(=O)C1=O.
What is the InChIKey of 6-methoxy-3-methyl-2-benzofuran-4,5-dione?
The InChIKey is SJJQVWSHTVOEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-5-8-6(4-14-5)3-7(13-2)9(11)10(8)12/h3-4H,1-2H3.
What are the key properties of 6-methoxy-3-methyl-2-benzofuran-4,5-dione?
6-methoxy-3-methyl-2-benzofuran-4,5-dione has a molecular weight of 192.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2-benzofuran-4,5-dione is sourced from PubChem (CID 10261969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).