5,6-dimethoxy-2-benzofuran-1,3-dione

C10H8O5 — CID 610356

IUPAC5,6-dimethoxy-2-benzofuran-1,3-dione
SMILESCOc1cc2c(cc1OC)C(=O)OC2=O
InChIInChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3
InChIKeyIMSDRBDUANUSRL-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.01
Rot. Bonds2

About 5,6-dimethoxy-2-benzofuran-1,3-dione

5,6-dimethoxy-2-benzofuran-1,3-dione (PubChem CID 610356) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 5,6-dimethoxy-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5,6-dimethoxy-2-benzofuran-1,3-dione
PubChem CID610356
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name5,6-dimethoxy-2-benzofuran-1,3-dione
SMILESCOc1cc2c(cc1OC)C(=O)OC2=O
InChIInChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3
InChIKeyIMSDRBDUANUSRL-UHFFFAOYSA-N
XLogP1.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5,6-dimethoxy-2-benzofuran-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vanillic Acid
CID 8468
Veratric Acid
CID 7121
3,4,5-Trimethoxybenzoic Acid
CID 8357
1,3-Benzodioxole-5-carboxylic acid
CID 7196
Methyl Vanillate
CID 19844
Meconin
CID 68437
Bifendate
CID 108213
Isovanillic Acid
CID 12575
Methyl 3,4,5-trimethoxybenzoate
CID 15956
Ethyl vanillate
CID 12038
4,4'-Oxydiphthalic anhydride
CID 74574
5,6-Dimethoxy-1-indanone
CID 75018

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-benzofuran-1,3-dione?
The IUPAC name of 5,6-dimethoxy-2-benzofuran-1,3-dione (CID 610356) is 5,6-dimethoxy-2-benzofuran-1,3-dione.
What is the SMILES notation for 5,6-dimethoxy-2-benzofuran-1,3-dione?
The canonical SMILES for 5,6-dimethoxy-2-benzofuran-1,3-dione is COc1cc2c(cc1OC)C(=O)OC2=O.
What is the InChIKey of 5,6-dimethoxy-2-benzofuran-1,3-dione?
The InChIKey is IMSDRBDUANUSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3.
What are the key properties of 5,6-dimethoxy-2-benzofuran-1,3-dione?
5,6-dimethoxy-2-benzofuran-1,3-dione has a molecular weight of 208.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-benzofuran-1,3-dione is sourced from PubChem (CID 610356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).