2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol

C14H10O5 — CID 90703276

IUPAC2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol
SMILESOc1cc(O)cc(-c2cc3cc(O)c(O)cc3o2)c1
InChIInChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H
InChIKeyFDARKUSEVNCTHK-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.92
Rot. Bonds1

About 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol

2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol (PubChem CID 90703276) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol
PubChem CID90703276
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol
SMILESOc1cc(O)cc(-c2cc3cc(O)c(O)cc3o2)c1
InChIInChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H
InChIKeyFDARKUSEVNCTHK-UHFFFAOYSA-N
XLogP2.92
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol (CID 90703276) is 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol is Oc1cc(O)cc(-c2cc3cc(O)c(O)cc3o2)c1.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol?
The InChIKey is FDARKUSEVNCTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H.
What are the key properties of 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol?
2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol has a molecular weight of 258.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenyl)-1-benzofuran-5,6-diol is sourced from PubChem (CID 90703276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).