2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol

C34H34O12 — CID 142873822

About 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol

2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 142873822) has the molecular formula C34H34O12 and a molecular weight of 634.63 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 142873822
• Molecular Formula: C34H34O12
• Molecular Weight: 634.63 g/mol
• Exact Mass: 634.21
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: CC1c2c(O)cc(O)c(C(C)(C)C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)c2OC(c2ccc(O)c(O)c2)C1O
• InChI: InChI=1S/C34H34O12/c1-13-25-22(41)12-23(42)27(33(25)46-31(29(13)43)14-4-6-17(36)19(38)8-14)34(2,3)28-26-21(40)10-16(35)11-24(26)45-32(30(28)44)15-5-7-18(37)20(39)9-15/h4-13,28-32,35-44H,1-3H3
• InChIKey: NKOIOSDXNZEZOV-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 220.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	634.63
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol (CID 142873822) is 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol is CC1c2c(O)cc(O)c(C(C)(C)C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)c2OC(c2ccc(O)c(O)c2)C1O.

What is the InChIKey of 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is NKOIOSDXNZEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O12/c1-13-25-22(41)12-23(42)27(33(25)46-31(29(13)43)14-4-6-17(36)19(38)8-14)34(2,3)28-26-21(40)10-16(35)11-24(26)45-32(30(28)44)15-5-7-18(37)20(39)9-15/h4-13,28-32,35-44H,1-3H3.

What are the key properties of 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol?

2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 634.63 g/mol, XLogP of 4.49, 4 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydroxyphenyl)-8-[2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]propan-2-yl]-4-methyl-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 142873822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).