4-hydroxy-5-methoxy-2-benzofuran-1,3-dione

C9H6O5 — CID 54295752

IUPAC4-hydroxy-5-methoxy-2-benzofuran-1,3-dione
SMILESCOc1ccc2c(c1O)C(=O)OC2=O
InChIInChI=1S/C9H6O5/c1-13-5-3-2-4-6(7(5)10)9(12)14-8(4)11/h2-3,10H,1H3
InChIKeySARDNNFMPRTMAK-UHFFFAOYSA-N
MW194.14 g/mol
LogP0.71
Rot. Bonds1

About 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione

4-hydroxy-5-methoxy-2-benzofuran-1,3-dione (PubChem CID 54295752) has the molecular formula C9H6O5 and a molecular weight of 194.14 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2-benzofuran-1,3-dione
PubChem CID54295752
Molecular FormulaC9H6O5
Molecular Weight194.14 g/mol
Exact Mass194.02
IUPAC Name4-hydroxy-5-methoxy-2-benzofuran-1,3-dione
SMILESCOc1ccc2c(c1O)C(=O)OC2=O
InChIInChI=1S/C9H6O5/c1-13-5-3-2-4-6(7(5)10)9(12)14-8(4)11/h2-3,10H,1H3
InChIKeySARDNNFMPRTMAK-UHFFFAOYSA-N
XLogP0.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

12-hydroxy-6,15-dioxatetracyclo[9.7.0.04,17.08,13]octadeca-1(18),2,4(17),8(13),9,11-hexaene-5,7,14,16-tetrone
CID 57145576
11-amino-6-methoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
CID 54380420
2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione
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4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]-2-benzofuran-1,3-dione
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2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
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(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
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(1R)-8'-hydroxy-6,7,7'-trimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,3'-isochromene]-1',4'-dione
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3,6-dimethoxy-2-methylphenol
CID 13158257
4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one
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4,5-difluoro-2-benzofuran-1,3-dione
CID 15106096
3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 175305896
6,9-dimethoxy-4,5-dihydro-2-benzoxepine-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione?
The IUPAC name of 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione (CID 54295752) is 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione.
What is the SMILES notation for 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione?
The canonical SMILES for 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione is COc1ccc2c(c1O)C(=O)OC2=O.
What is the InChIKey of 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione?
The InChIKey is SARDNNFMPRTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O5/c1-13-5-3-2-4-6(7(5)10)9(12)14-8(4)11/h2-3,10H,1H3.
What are the key properties of 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione?
4-hydroxy-5-methoxy-2-benzofuran-1,3-dione has a molecular weight of 194.14 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2-benzofuran-1,3-dione is sourced from PubChem (CID 54295752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).