2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol

C15H10O4 — CID 11499814

IUPAC2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol
SMILESOc1ccc2cc(-c3ccc4c(c3)OCO4)oc2c1
InChIInChI=1S/C15H10O4/c16-11-3-1-9-5-13(19-14(9)7-11)10-2-4-12-15(6-10)18-8-17-12/h1-7,16H,8H2
InChIKeyWWVXPRPSVQNHAF-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.53
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol

2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol (PubChem CID 11499814) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol
PubChem CID11499814
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol
SMILESOc1ccc2cc(-c3ccc4c(c3)OCO4)oc2c1
InChIInChI=1S/C15H10O4/c16-11-3-1-9-5-13(19-14(9)7-11)10-2-4-12-15(6-10)18-8-17-12/h1-7,16H,8H2
InChIKeyWWVXPRPSVQNHAF-UHFFFAOYSA-N
XLogP3.53
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-6-hydroxychromen-2-one
CID 44562448
1,3-benzodioxol-5-ol;methane
CID 68940822
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
4-(1,3-benzodioxol-5-yl)-3-methylphenol
CID 54078563
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
1,3-benzodioxol-5-ol;formic acid
CID 22468167
2-(4-hydroxy-1-benzofuran-6-yl)-1-benzofuran-6-ol
CID 129169005
methyl 2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-carboxylate
CID 91429082
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
propan-2-yl 2-[3-(1,3-benzodioxol-5-yl)-2-oxochromen-7-yl]oxyacetate
CID 4839051

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol (CID 11499814) is 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol is Oc1ccc2cc(-c3ccc4c(c3)OCO4)oc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol?
The InChIKey is WWVXPRPSVQNHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-11-3-1-9-5-13(19-14(9)7-11)10-2-4-12-15(6-10)18-8-17-12/h1-7,16H,8H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol?
2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol has a molecular weight of 254.24 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1-benzofuran-6-ol is sourced from PubChem (CID 11499814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).