(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol

C19H20O7 — CID 162852583

IUPAC(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
SMILESCOc1ccc2c(c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21
InChIInChI=1S/C19H20O7/c1-21-13-6-5-9-14-11(8-25-15(9)18(13)23-3)10-7-12(20)17(22-2)19(24-4)16(10)26-14/h5-7,11,14,20H,8H2,1-4H3/t11-,14-/m0/s1
InChIKeyAAAQSJHHXMDZCO-FZMZJTMJSA-N
MW360.36 g/mol
LogP3.04
Rot. Bonds4

About (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol

(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol (PubChem CID 162852583) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol.

Molecular Properties

Compound Name(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
PubChem CID162852583
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
SMILESCOc1ccc2c(c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21
InChIInChI=1S/C19H20O7/c1-21-13-6-5-9-14-11(8-25-15(9)18(13)23-3)10-7-12(20)17(22-2)19(24-4)16(10)26-14/h5-7,11,14,20H,8H2,1-4H3/t11-,14-/m0/s1
InChIKeyAAAQSJHHXMDZCO-FZMZJTMJSA-N
XLogP3.04
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
The IUPAC name of (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol (CID 162852583) is (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol.
What is the SMILES notation for (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
The canonical SMILES for (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol is COc1ccc2c(c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21.
What is the InChIKey of (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
The InChIKey is AAAQSJHHXMDZCO-FZMZJTMJSA-N. The full InChI is InChI=1S/C19H20O7/c1-21-13-6-5-9-14-11(8-25-15(9)18(13)23-3)10-7-12(20)17(22-2)19(24-4)16(10)26-14/h5-7,11,14,20H,8H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol has a molecular weight of 360.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol is sourced from PubChem (CID 162852583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).