9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol

C16H14O5 — CID 46881109

IUPAC9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol
SMILESCOc1cc2c(cc1O)C1c3ccc(O)cc3OCC1O2
InChIInChI=1S/C16H14O5/c1-19-14-6-13-10(5-11(14)18)16-9-3-2-8(17)4-12(9)20-7-15(16)21-13/h2-6,15-18H,7H2,1H3
InChIKeyQRKQNCKTZHZBAM-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.39
Rot. Bonds1

About 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol

9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol (PubChem CID 46881109) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol.

Molecular Properties

Compound Name9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol
PubChem CID46881109
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol
SMILESCOc1cc2c(cc1O)C1c3ccc(O)cc3OCC1O2
InChIInChI=1S/C16H14O5/c1-19-14-6-13-10(5-11(14)18)16-9-3-2-8(17)4-12(9)20-7-15(16)21-13/h2-6,15-18H,7H2,1H3
InChIKeyQRKQNCKTZHZBAM-UHFFFAOYSA-N
XLogP2.39
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol?
The IUPAC name of 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol (CID 46881109) is 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol.
What is the SMILES notation for 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol?
The canonical SMILES for 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol is COc1cc2c(cc1O)C1c3ccc(O)cc3OCC1O2.
What is the InChIKey of 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol?
The InChIKey is QRKQNCKTZHZBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-14-6-13-10(5-11(14)18)16-9-3-2-8(17)4-12(9)20-7-15(16)21-13/h2-6,15-18H,7H2,1H3.
What are the key properties of 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol?
9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol has a molecular weight of 286.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol is sourced from PubChem (CID 46881109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).