6-methoxy-1-benzofuran-3,7-diol

C9H8O4 — CID 123234995

IUPAC6-methoxy-1-benzofuran-3,7-diol
SMILESCOc1ccc2c(O)coc2c1O
InChIInChI=1S/C9H8O4/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-4,10-11H,1H3
InChIKeyOZRVJGBUOAVGOM-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.85
Rot. Bonds1

About 6-methoxy-1-benzofuran-3,7-diol

6-methoxy-1-benzofuran-3,7-diol (PubChem CID 123234995) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-methoxy-1-benzofuran-3,7-diol.

Molecular Properties

Compound Name6-methoxy-1-benzofuran-3,7-diol
PubChem CID123234995
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name6-methoxy-1-benzofuran-3,7-diol
SMILESCOc1ccc2c(O)coc2c1O
InChIInChI=1S/C9H8O4/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-4,10-11H,1H3
InChIKeyOZRVJGBUOAVGOM-UHFFFAOYSA-N
XLogP1.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,7-tetramethoxydibenzofuran-1,6-diol
CID 171115286
1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone
CID 123728474
3,6-dimethoxy-2-methylphenol
CID 13158257
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 162868360
4,6-difluoro-7-methoxydibenzofuran-3-ol
CID 118372765
6,7-dimethoxy-1-benzofuran-3-carbaldehyde
CID 131462840
3-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
CID 59891635
(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968961
2-bromo-3-chloro-6-methoxyphenol
CID 84700321

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-benzofuran-3,7-diol?
The IUPAC name of 6-methoxy-1-benzofuran-3,7-diol (CID 123234995) is 6-methoxy-1-benzofuran-3,7-diol.
What is the SMILES notation for 6-methoxy-1-benzofuran-3,7-diol?
The canonical SMILES for 6-methoxy-1-benzofuran-3,7-diol is COc1ccc2c(O)coc2c1O.
What is the InChIKey of 6-methoxy-1-benzofuran-3,7-diol?
The InChIKey is OZRVJGBUOAVGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-4,10-11H,1H3.
What are the key properties of 6-methoxy-1-benzofuran-3,7-diol?
6-methoxy-1-benzofuran-3,7-diol has a molecular weight of 180.16 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-benzofuran-3,7-diol is sourced from PubChem (CID 123234995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).