6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one

C20H14O7 — CID 5318544

IUPAC6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
SMILESCOc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC
InChIInChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3
InChIKeyBCLNKNUUTUITEA-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.71
Rot. Bonds4

About 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one

6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one (PubChem CID 5318544) has the molecular formula C20H14O7 and a molecular weight of 366.33 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
PubChem CID5318544
Molecular FormulaC20H14O7
Molecular Weight366.33 g/mol
Exact Mass366.07
IUPAC Name6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
SMILESCOc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC
InChIInChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3
InChIKeyBCLNKNUUTUITEA-UHFFFAOYSA-N
XLogP3.71
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
The IUPAC name of 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one (CID 5318544) is 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one.
What is the SMILES notation for 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
The canonical SMILES for 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one is COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
The InChIKey is BCLNKNUUTUITEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O7/c1-23-16-7-12-8-18(20(22)27-15(12)10-17(16)24-2)25-13-5-3-11-4-6-19(21)26-14(11)9-13/h3-10H,1-2H3.
What are the key properties of 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one has a molecular weight of 366.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one is sourced from PubChem (CID 5318544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).