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

C20H16O7 — CID 57404230

IUPAC6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C20H16O7/c1-22-11-3-4-12-13(7-11)27-16-8-24-20(21)18(16)17(12)10-5-14(23-2)19-15(6-10)25-9-26-19/h3-7,17H,8-9H2,1-2H3
InChIKeyWABKWFNCJFJSQT-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.77
Rot. Bonds3

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

6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one (PubChem CID 57404230) has the molecular formula C20H16O7 and a molecular weight of 368.34 g/mol. Its IUPAC name is 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one.

Molecular Properties

Compound Name6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one
PubChem CID57404230
Molecular FormulaC20H16O7
Molecular Weight368.34 g/mol
Exact Mass368.09
IUPAC Name6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C20H16O7/c1-22-11-3-4-12-13(7-11)27-16-8-24-20(21)18(16)17(12)10-5-14(23-2)19-15(6-10)25-9-26-19/h3-7,17H,8-9H2,1-2H3
InChIKeyWABKWFNCJFJSQT-UHFFFAOYSA-N
XLogP2.77
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The IUPAC name of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one (CID 57404230) is 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one.
What is the SMILES notation for 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The canonical SMILES for 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one is COc1ccc2c(c1)OC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1)OCO2.
What is the InChIKey of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The InChIKey is WABKWFNCJFJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O7/c1-22-11-3-4-12-13(7-11)27-16-8-24-20(21)18(16)17(12)10-5-14(23-2)19-15(6-10)25-9-26-19/h3-7,17H,8-9H2,1-2H3.
What are the key properties of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one has a molecular weight of 368.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one is sourced from PubChem (CID 57404230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).