8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

C36H30O10 — CID 3336566

IUPAC8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(-c4cc(-c5cc(=O)c6c(OC)cc(OC)cc6o5)ccc4OC)c3o2)cc1
InChIInChI=1S/C36H30O10/c1-39-21-10-7-19(8-11-21)27-17-25(38)35-31(44-6)18-30(43-5)33(36(35)46-27)23-13-20(9-12-26(23)41-3)28-16-24(37)34-29(42-4)14-22(40-2)15-32(34)45-28/h7-18H,1-6H3
InChIKeyMZDGQNFFUITEAB-UHFFFAOYSA-N
MW622.63 g/mol
LogP6.95
Rot. Bonds9

About 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 3336566) has the molecular formula C36H30O10 and a molecular weight of 622.63 g/mol. Its IUPAC name is 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID3336566
Molecular FormulaC36H30O10
Molecular Weight622.63 g/mol
Exact Mass622.18
IUPAC Name8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(-c4cc(-c5cc(=O)c6c(OC)cc(OC)cc6o5)ccc4OC)c3o2)cc1
InChIInChI=1S/C36H30O10/c1-39-21-10-7-19(8-11-21)27-17-25(38)35-31(44-6)18-30(43-5)33(36(35)46-27)23-13-20(9-12-26(23)41-3)28-16-24(37)34-29(42-4)14-22(40-2)15-32(34)45-28/h7-18H,1-6H3
InChIKeyMZDGQNFFUITEAB-UHFFFAOYSA-N
XLogP6.95
TPSA115.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.63
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (CID 3336566) is 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(-c4cc(-c5cc(=O)c6c(OC)cc(OC)cc6o5)ccc4OC)c3o2)cc1.
What is the InChIKey of 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is MZDGQNFFUITEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O10/c1-39-21-10-7-19(8-11-21)27-17-25(38)35-31(44-6)18-30(43-5)33(36(35)46-27)23-13-20(9-12-26(23)41-3)28-16-24(37)34-29(42-4)14-22(40-2)15-32(34)45-28/h7-18H,1-6H3.
What are the key properties of 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 622.63 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 3336566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).