7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C20H20O7 — CID 24750458

IUPAC7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3ccc(OC)c(OC)c3o2)cc(OC)c1OC
InChIInChI=1S/C20H20O7/c1-22-14-7-6-12-13(21)10-15(27-18(12)20(14)26-5)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3
InChIKeyIQXUAKMLDBLFJK-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.50
Rot. Bonds6

About 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 24750458) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID24750458
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3ccc(OC)c(OC)c3o2)cc(OC)c1OC
InChIInChI=1S/C20H20O7/c1-22-14-7-6-12-13(21)10-15(27-18(12)20(14)26-5)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3
InChIKeyIQXUAKMLDBLFJK-UHFFFAOYSA-N
XLogP3.50
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 24750458) is 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(-c2cc(=O)c3ccc(OC)c(OC)c3o2)cc(OC)c1OC.
What is the InChIKey of 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is IQXUAKMLDBLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-22-14-7-6-12-13(21)10-15(27-18(12)20(14)26-5)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3.
What are the key properties of 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 372.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 24750458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).