6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one

C12H8O5 — CID 23932371

IUPAC6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one
SMILESCc1cc(=O)oc2oc3c(O)cc(O)cc3c12
InChIInChI=1S/C12H8O5/c1-5-2-9(15)16-12-10(5)7-3-6(13)4-8(14)11(7)17-12/h2-4,13-14H,1H3
InChIKeyLYFLYGBBHCVTBT-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.26
Rot. Bonds

About 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one

6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one (PubChem CID 23932371) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one.

Molecular Properties

Compound Name6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one
PubChem CID23932371
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one
SMILESCc1cc(=O)oc2oc3c(O)cc(O)cc3c12
InChIInChI=1S/C12H8O5/c1-5-2-9(15)16-12-10(5)7-3-6(13)4-8(14)11(7)17-12/h2-4,13-14H,1H3
InChIKeyLYFLYGBBHCVTBT-UHFFFAOYSA-N
XLogP2.26
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6,8-trihydroxychromen-2-one
CID 130131543
2,3,5,7-tetrahydroxyxanthen-9-one
CID 162847405
5,6-diamino-7-hydroxy-4-methylchromen-2-one
CID 171843857
2-(2,3-dihydroxy-5-methylphenyl)-6,8-dihydroxychromen-4-one
CID 71665587
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
7-hydroxy-4,5-dimethyl-8-prop-2-enylchromen-2-one
CID 12900448
methyl 5,7-dihydroxy-4-methyl-2-oxochromene-6-carboxylate
CID 44721130
2,7,9-trihydroxy-1,3-dimethylbenzo[c]chromen-6-one
CID 175527129
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 57368437
4-hydroxy-8-methylchromen-2-one
CID 54676122
5,7-dihydroxy-3H-1,3-benzoxazol-2-one
CID 11701104

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one?
The IUPAC name of 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one (CID 23932371) is 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one.
What is the SMILES notation for 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one?
The canonical SMILES for 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one is Cc1cc(=O)oc2oc3c(O)cc(O)cc3c12.
What is the InChIKey of 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one?
The InChIKey is LYFLYGBBHCVTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c1-5-2-9(15)16-12-10(5)7-3-6(13)4-8(14)11(7)17-12/h2-4,13-14H,1H3.
What are the key properties of 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one?
6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one has a molecular weight of 232.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-4-methylpyrano[2,3-b][1]benzofuran-2-one is sourced from PubChem (CID 23932371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).