9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

C21H18O8 — CID 70683095

IUPAC9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1OC)OCO2
InChIInChI=1S/C21H18O8/c1-23-10-4-5-11-13(6-10)29-15-8-26-21(22)17(15)16(11)12-7-14(24-2)19-20(18(12)25-3)28-9-27-19/h4-7,16H,8-9H2,1-3H3
InChIKeyRBOAKPUWPBGXKH-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.78
Rot. Bonds4

About 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one

9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (PubChem CID 70683095) has the molecular formula C21H18O8 and a molecular weight of 398.37 g/mol. Its IUPAC name is 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.

Molecular Properties

Compound Name9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
PubChem CID70683095
Molecular FormulaC21H18O8
Molecular Weight398.37 g/mol
Exact Mass398.10
IUPAC Name9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1OC)OCO2
InChIInChI=1S/C21H18O8/c1-23-10-4-5-11-13(6-10)29-15-8-26-21(22)17(15)16(11)12-7-14(24-2)19-20(18(12)25-3)28-9-27-19/h4-7,16H,8-9H2,1-3H3
InChIKeyRBOAKPUWPBGXKH-UHFFFAOYSA-N
XLogP2.78
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The IUPAC name of 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one (CID 70683095) is 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one.
What is the SMILES notation for 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The canonical SMILES for 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is COc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1OC)OCO2.
What is the InChIKey of 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
The InChIKey is RBOAKPUWPBGXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O8/c1-23-10-4-5-11-13(6-10)29-15-8-26-21(22)17(15)16(11)12-7-14(24-2)19-20(18(12)25-3)28-9-27-19/h4-7,16H,8-9H2,1-3H3.
What are the key properties of 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one?
9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one has a molecular weight of 398.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one is sourced from PubChem (CID 70683095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).