2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol

C19H18O6 — CID 4620898

IUPAC2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol
SMILESCOc1ccc2c(c1)OC1(O)COc3cc(OC)c(OC)cc3C1=C2
InChIInChI=1S/C19H18O6/c1-21-12-5-4-11-6-14-13-8-17(22-2)18(23-3)9-16(13)24-10-19(14,20)25-15(11)7-12/h4-9,20H,10H2,1-3H3
InChIKeyWEJZLJFKUYPPDV-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.73
Rot. Bonds3

About 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol

2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol (PubChem CID 4620898) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol.

Molecular Properties

Compound Name2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol
PubChem CID4620898
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol
SMILESCOc1ccc2c(c1)OC1(O)COc3cc(OC)c(OC)cc3C1=C2
InChIInChI=1S/C19H18O6/c1-21-12-5-4-11-6-14-13-8-17(22-2)18(23-3)9-16(13)24-10-19(14,20)25-15(11)7-12/h4-9,20H,10H2,1-3H3
InChIKeyWEJZLJFKUYPPDV-UHFFFAOYSA-N
XLogP2.73
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol?
The IUPAC name of 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol (CID 4620898) is 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol.
What is the SMILES notation for 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol?
The canonical SMILES for 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol is COc1ccc2c(c1)OC1(O)COc3cc(OC)c(OC)cc3C1=C2.
What is the InChIKey of 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol?
The InChIKey is WEJZLJFKUYPPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-12-5-4-11-6-14-13-8-17(22-2)18(23-3)9-16(13)24-10-19(14,20)25-15(11)7-12/h4-9,20H,10H2,1-3H3.
What are the key properties of 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol?
2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol has a molecular weight of 342.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol is sourced from PubChem (CID 4620898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).