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

C21H20O7 — CID 46949539

IUPAC7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)O2
InChIInChI=1S/C21H20O7/c1-23-12-5-6-14-13(9-12)18(19-17(28-14)10-27-21(19)22)11-7-15(24-2)20(26-4)16(8-11)25-3/h5-9,18H,10H2,1-4H3
InChIKeyBEEBRGACJBUMNX-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.06
Rot. Bonds5

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

7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one (PubChem CID 46949539) has the molecular formula C21H20O7 and a molecular weight of 384.38 g/mol. Its IUPAC name is 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one.

Molecular Properties

Compound Name7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one
PubChem CID46949539
Molecular FormulaC21H20O7
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Name7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)O2
InChIInChI=1S/C21H20O7/c1-23-12-5-6-14-13(9-12)18(19-17(28-14)10-27-21(19)22)11-7-15(24-2)20(26-4)16(8-11)25-3/h5-9,18H,10H2,1-4H3
InChIKeyBEEBRGACJBUMNX-UHFFFAOYSA-N
XLogP3.06
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The IUPAC name of 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one (CID 46949539) is 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one.
What is the SMILES notation for 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The canonical SMILES for 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one is COc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)O2.
What is the InChIKey of 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
The InChIKey is BEEBRGACJBUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O7/c1-23-12-5-6-14-13(9-12)18(19-17(28-14)10-27-21(19)22)11-7-15(24-2)20(26-4)16(8-11)25-3/h5-9,18H,10H2,1-4H3.
What are the key properties of 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one?
7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one has a molecular weight of 384.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]chromen-1-one is sourced from PubChem (CID 46949539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).