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

C15H12O4 — CID 3347979

IUPAC6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESOc1ccc2c(c1)OC1c3ccc(O)cc3OCC21
InChIInChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2
InChIKeyODMIEGVTNZNSLD-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.71
Rot. Bonds

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

6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (PubChem CID 3347979) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.

Molecular Properties

Compound Name6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
PubChem CID3347979
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
SMILESOc1ccc2c(c1)OC1c3ccc(O)cc3OCC21
InChIInChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2
InChIKeyODMIEGVTNZNSLD-UHFFFAOYSA-N
XLogP2.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The IUPAC name of 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol (CID 3347979) is 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol.
What is the SMILES notation for 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The canonical SMILES for 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is Oc1ccc2c(c1)OC1c3ccc(O)cc3OCC21.
What is the InChIKey of 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
The InChIKey is ODMIEGVTNZNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2.
What are the key properties of 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol?
6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol has a molecular weight of 256.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol is sourced from PubChem (CID 3347979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).