4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one

C15H16O7 — CID 70470330

IUPAC4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one
SMILESCOc1c2c(c(OC)c3occc13)OC(OC)(OC)CC2=O
InChIInChI=1S/C15H16O7/c1-17-11-8-5-6-21-12(8)14(18-2)13-10(11)9(16)7-15(19-3,20-4)22-13/h5-6H,7H2,1-4H3
InChIKeyWJIXLMSCMHCNHW-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.36
Rot. Bonds4

About 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one

4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one (PubChem CID 70470330) has the molecular formula C15H16O7 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one
PubChem CID70470330
Molecular FormulaC15H16O7
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Name4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one
SMILESCOc1c2c(c(OC)c3occc13)OC(OC)(OC)CC2=O
InChIInChI=1S/C15H16O7/c1-17-11-8-5-6-21-12(8)14(18-2)13-10(11)9(16)7-15(19-3,20-4)22-13/h5-6H,7H2,1-4H3
InChIKeyWJIXLMSCMHCNHW-UHFFFAOYSA-N
XLogP2.36
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one?
The IUPAC name of 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one (CID 70470330) is 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one.
What is the SMILES notation for 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one?
The canonical SMILES for 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one is COc1c2c(c(OC)c3occc13)OC(OC)(OC)CC2=O.
What is the InChIKey of 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one?
The InChIKey is WJIXLMSCMHCNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O7/c1-17-11-8-5-6-21-12(8)14(18-2)13-10(11)9(16)7-15(19-3,20-4)22-13/h5-6H,7H2,1-4H3.
What are the key properties of 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one?
4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one has a molecular weight of 308.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7,9-tetramethoxy-6H-furo[3,2-g]chromen-5-one is sourced from PubChem (CID 70470330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).