8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one

C35H26O10 — CID 71605238

About 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one

8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one (PubChem CID 71605238) has the molecular formula C35H26O10 and a molecular weight of 606.58 g/mol. Its IUPAC name is 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one.

Molecular Properties

• Compound Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one
• PubChem CID: 71605238
• Molecular Formula: C35H26O10
• Molecular Weight: 606.58 g/mol
• Exact Mass: 606.15
• IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one
• SMILES: C=C(C)C(O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
• InChI: InChI=1S/C35H26O10/c1-17(2)27(42)16-43-30-15-26(41)34-25(40)14-28(18-6-4-3-5-7-18)45-35(34)32(30)21-10-19(8-9-22(21)37)29-13-24(39)33-23(38)11-20(36)12-31(33)44-29/h3-15,27,36-38,41-42H,1,16H2,2H3
• InChIKey: MOOYLYBVUKGOBD-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 170.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.58
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one?

The IUPAC name of 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one (CID 71605238) is 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one.

What is the SMILES notation for 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one?

The canonical SMILES for 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one is C=C(C)C(O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O.

What is the InChIKey of 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one?

The InChIKey is MOOYLYBVUKGOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O10/c1-17(2)27(42)16-43-30-15-26(41)34-25(40)14-28(18-6-4-3-5-7-18)45-35(34)32(30)21-10-19(8-9-22(21)37)29-13-24(39)33-23(38)11-20(36)12-31(33)44-29/h3-15,27,36-38,41-42H,1,16H2,2H3.

What are the key properties of 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one?

8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one has a molecular weight of 606.58 g/mol, XLogP of 6.04, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 71605238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).