4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol

C42H32O11 — CID 78384996

About 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol

4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol (PubChem CID 78384996) has the molecular formula C42H32O11 and a molecular weight of 712.71 g/mol. Its IUPAC name is 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
• PubChem CID: 78384996
• Molecular Formula: C42H32O11
• Molecular Weight: 712.71 g/mol
• Exact Mass: 712.19
• IUPAC Name: 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
• SMILES: Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)c4c2OC(c2ccc(O)cc2O)C4c2cc(O)cc(O)c2)O3)cc1
• InChI: InChI=1S/C42H32O11/c43-24-5-2-20(3-6-24)1-4-21-11-30(49)19-35-36(21)37(22-12-26(45)16-27(46)13-22)41(52-35)32-9-10-33(50)39-38(23-14-28(47)17-29(48)15-23)40(53-42(32)39)31-8-7-25(44)18-34(31)51/h1-19,37-38,40-41,43-51H
• InChIKey: SBAYNGXEDJLMOG-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 200.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	712.71
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?

The IUPAC name of 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol (CID 78384996) is 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol.

What is the SMILES notation for 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?

The canonical SMILES for 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol is Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)c4c2OC(c2ccc(O)cc2O)C4c2cc(O)cc(O)c2)O3)cc1.

What is the InChIKey of 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?

The InChIKey is SBAYNGXEDJLMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32O11/c43-24-5-2-20(3-6-24)1-4-21-11-30(49)19-35-36(21)37(22-12-26(45)16-27(46)13-22)41(52-35)32-9-10-33(50)39-38(23-14-28(47)17-29(48)15-23)40(53-42(32)39)31-8-7-25(44)18-34(31)51/h1-19,37-38,40-41,43-51H.

What are the key properties of 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?

4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol has a molecular weight of 712.71 g/mol, XLogP of 7.74, 6 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3,5-dihydroxyphenyl)-7-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol is sourced from PubChem (CID 78384996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).