(6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene

C18H18O5 — CID 71182790

IUPAC(6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SMILESCOc1ccc2c(c1)O[C@H]1c3cc(OC)c(OC)cc3OC[C@@H]21
InChIInChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3/t13-,18-/m0/s1
InChIKeyXCRBPIBUMBLGCZ-UGSOOPFHSA-N
MW314.34 g/mol
LogP3.32
Rot. Bonds3

About (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene

(6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene (PubChem CID 71182790) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene.

Molecular Properties

Compound Name(6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
PubChem CID71182790
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SMILESCOc1ccc2c(c1)O[C@H]1c3cc(OC)c(OC)cc3OC[C@@H]21
InChIInChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3/t13-,18-/m0/s1
InChIKeyXCRBPIBUMBLGCZ-UGSOOPFHSA-N
XLogP3.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The IUPAC name of (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene (CID 71182790) is (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene.
What is the SMILES notation for (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The canonical SMILES for (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene is COc1ccc2c(c1)O[C@H]1c3cc(OC)c(OC)cc3OC[C@@H]21.
What is the InChIKey of (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
The InChIKey is XCRBPIBUMBLGCZ-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-14-8-17(21-3)16(20-2)7-12(14)18(13)23-15(11)6-10/h4-8,13,18H,9H2,1-3H3/t13-,18-/m0/s1.
What are the key properties of (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene?
(6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene has a molecular weight of 314.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene is sourced from PubChem (CID 71182790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).