5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one

C32H24O10 — CID 163047299

About 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one

5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 163047299) has the molecular formula C32H24O10 and a molecular weight of 568.53 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one
• PubChem CID: 163047299
• Molecular Formula: C32H24O10
• Molecular Weight: 568.53 g/mol
• Exact Mass: 568.14
• IUPAC Name: 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one
• SMILES: COc1cc2c(c(O)c1C)C(=O)CC(c1ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c1)O2
• InChI: InChI=1S/C32H24O10/c1-14-24(40-2)13-27-30(31(14)39)23(38)12-26(41-27)16-5-8-19(34)18(9-16)28-20(35)10-21(36)29-22(37)11-25(42-32(28)29)15-3-6-17(33)7-4-15/h3-11,13,26,33-36,39H,12H2,1-2H3
• InChIKey: HRVMEXKQXPZEPD-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 166.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.53
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one?

The IUPAC name of 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one (CID 163047299) is 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one.

What is the SMILES notation for 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one?

The canonical SMILES for 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one is COc1cc2c(c(O)c1C)C(=O)CC(c1ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c1)O2.

What is the InChIKey of 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one?

The InChIKey is HRVMEXKQXPZEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O10/c1-14-24(40-2)13-27-30(31(14)39)23(38)12-26(41-27)16-5-8-19(34)18(9-16)28-20(35)10-21(36)29-22(37)11-25(42-32(28)29)15-3-6-17(33)7-4-15/h3-11,13,26,33-36,39H,12H2,1-2H3.

What are the key properties of 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one?

5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 568.53 g/mol, XLogP of 5.68, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 163047299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).