7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

C22H22O10 — CID 162896881

About 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one (PubChem CID 162896881) has the molecular formula C22H22O10 and a molecular weight of 446.41 g/mol. Its IUPAC name is 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one.

Molecular Properties

• Compound Name: 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• PubChem CID: 162896881
• Molecular Formula: C22H22O10
• Molecular Weight: 446.41 g/mol
• Exact Mass: 446.12
• IUPAC Name: 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• SMILES: COc1cc2c(=O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)coc2cc1O
• InChI: InChI=1S/C22H22O10/c1-29-16-6-12-15(7-14(16)24)30-9-13(18(12)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3
• InChIKey: QQHRLIGGRKNNDR-UHFFFAOYSA-N
• XLogP: 0.35
• TPSA: 159.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.41
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one?

The IUPAC name of 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one (CID 162896881) is 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one.

What is the SMILES notation for 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one?

The canonical SMILES for 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one is COc1cc2c(=O)c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)coc2cc1O.

What is the InChIKey of 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one?

The InChIKey is QQHRLIGGRKNNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O10/c1-29-16-6-12-15(7-14(16)24)30-9-13(18(12)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3.

What are the key properties of 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one?

7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one has a molecular weight of 446.41 g/mol, XLogP of 0.35, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-6-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one is sourced from PubChem (CID 162896881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).