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

C20H16O7 — CID 46949556

IUPAC7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c3c(c1)OCO3)C1=C(COC1=O)O2
InChIInChI=1S/C20H16O7/c1-22-11-3-4-13-12(7-11)17(18-16(27-13)8-24-20(18)21)10-5-14(23-2)19-15(6-10)25-9-26-19/h3-7,17H,8-9H2,1-2H3
InChIKeyZVKGEDQLJGNNHA-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.77
Rot. Bonds3

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

7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one (PubChem CID 46949556) has the molecular formula C20H16O7 and a molecular weight of 368.34 g/mol. Its IUPAC name is 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one.

Molecular Properties

Compound Name7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one
PubChem CID46949556
Molecular FormulaC20H16O7
Molecular Weight368.34 g/mol
Exact Mass368.09
IUPAC Name7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c3c(c1)OCO3)C1=C(COC1=O)O2
InChIInChI=1S/C20H16O7/c1-22-11-3-4-13-12(7-11)17(18-16(27-13)8-24-20(18)21)10-5-14(23-2)19-15(6-10)25-9-26-19/h3-7,17H,8-9H2,1-2H3
InChIKeyZVKGEDQLJGNNHA-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 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The IUPAC name of 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one (CID 46949556) is 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one.
What is the SMILES notation for 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The canonical SMILES for 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one is COc1ccc2c(c1)C(c1cc(OC)c3c(c1)OCO3)C1=C(COC1=O)O2.
What is the InChIKey of 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The InChIKey is ZVKGEDQLJGNNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O7/c1-22-11-3-4-13-12(7-11)17(18-16(27-13)8-24-20(18)21)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 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
7-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 7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-3,9-dihydrofuro[3,4-b]chromen-1-one is sourced from PubChem (CID 46949556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).