5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol

C9H10O4 — CID 139807166

IUPAC5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol
SMILESCOc1cc(O)c2c(c1)C(O)CO2
InChIInChI=1S/C9H10O4/c1-12-5-2-6-8(11)4-13-9(6)7(10)3-5/h2-3,8,10-11H,4H2,1H3
InChIKeyGFOBUCUZCQLRPQ-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.83
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol

5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol (PubChem CID 139807166) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol
PubChem CID139807166
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol
SMILESCOc1cc(O)c2c(c1)C(O)CO2
InChIInChI=1S/C9H10O4/c1-12-5-2-6-8(11)4-13-9(6)7(10)3-5/h2-3,8,10-11H,4H2,1H3
InChIKeyGFOBUCUZCQLRPQ-UHFFFAOYSA-N
XLogP0.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104831142
(3R)-7-ethyl-5-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130609262
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 104831059
(3S,4S)-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 93061334
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
CID 13123193
(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
CID 130664492
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
(1R,2S,3S,4aS,9aR,10S)-9a-chloro-1,2,3,4a,8,10-hexahydroxy-6-methoxy-3-methyl-1,2,4,10-tetrahydroanthracen-9-one
CID 122208488
(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one
CID 156581085
3-chloro-2,5-dimethoxyphenol
CID 84661730

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol?
The IUPAC name of 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol (CID 139807166) is 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol?
The canonical SMILES for 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol is COc1cc(O)c2c(c1)C(O)CO2.
What is the InChIKey of 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol?
The InChIKey is GFOBUCUZCQLRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-5-2-6-8(11)4-13-9(6)7(10)3-5/h2-3,8,10-11H,4H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol?
5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol has a molecular weight of 182.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1-benzofuran-3,7-diol is sourced from PubChem (CID 139807166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).