4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one

C39H30O13 — CID 90014454

About 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one

4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one (PubChem CID 90014454) has the molecular formula C39H30O13 and a molecular weight of 706.66 g/mol. Its IUPAC name is 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one.

Molecular Properties

• Compound Name: 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one
• PubChem CID: 90014454
• Molecular Formula: C39H30O13
• Molecular Weight: 706.66 g/mol
• Exact Mass: 706.17
• IUPAC Name: 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one
• SMILES: COc1c2ccoc2cc2oc(C)cc(=O)c12.COc1c2occc2c(OC)c2c(=O)cc(C)oc12.COc1c2occc2cc2ccc(=O)oc12
• InChI: InChI=1S/C14H12O5.C13H10O4.C12H8O4/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7;1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2;1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h4-6H,1-3H3;3-6H,1-2H3;2-6H,1H3
• InChIKey: ZQYXITJMBKFQFD-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 166.97 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	706.66
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one?

The IUPAC name of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one (CID 90014454) is 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one.

What is the SMILES notation for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one?

The canonical SMILES for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one is COc1c2ccoc2cc2oc(C)cc(=O)c12.COc1c2occc2c(OC)c2c(=O)cc(C)oc12.COc1c2occc2cc2ccc(=O)oc12.

What is the InChIKey of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one?

The InChIKey is ZQYXITJMBKFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5.C13H10O4.C12H8O4/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7;1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2;1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h4-6H,1-3H3;3-6H,1-2H3;2-6H,1H3.

What are the key properties of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one?

4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one has a molecular weight of 706.66 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one;9-methoxyfuro[3,2-g]chromen-7-one;4-methoxy-7-methylfuro[3,2-g]chromen-5-one is sourced from PubChem (CID 90014454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).