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

C58H46O10 — CID 171344894

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

5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol (PubChem CID 171344894) has the molecular formula C58H46O10 and a molecular weight of 903.00 g/mol. Its IUPAC name is 5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol
• PubChem CID: 171344894
• Molecular Formula: C58H46O10
• Molecular Weight: 903.00 g/mol
• Exact Mass: 902.31
• IUPAC Name: 5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol
• SMILES: Oc1ccc([C@@H]2Cc3ccc(/C=C\c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)C3)cc1
• InChI: InChI=1S/C58H46O10/c59-39-11-5-31(6-12-39)49-25-38-23-46(66)28-51(54(38)53(49)36-19-42(62)26-43(63)20-36)57-48-17-30(1-3-34(48)24-50(57)32-7-13-40(60)14-8-32)2-4-35-18-47(67)29-52-55(35)56(37-21-44(64)27-45(65)22-37)58(68-52)33-9-15-41(61)16-10-33/h1-23,26-29,49-50,53,56-67H,24-25H2/b4-2-/t49-,50-,53-,56+,57+,58-/m0/s1
• InChIKey: KXPZGLOONTUMCQ-YYYHPHLVSA-N
• XLogP: 11.42
• TPSA: 191.30 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.00
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol (CID 171344894) is 5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol.

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

The canonical SMILES for 5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol is Oc1ccc([C@@H]2Cc3ccc(/C=C\c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)C3)cc1.

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

The InChIKey is KXPZGLOONTUMCQ-YYYHPHLVSA-N. The full InChI is InChI=1S/C58H46O10/c59-39-11-5-31(6-12-39)49-25-38-23-46(66)28-51(54(38)53(49)36-19-42(62)26-43(63)20-36)57-48-17-30(1-3-34(48)24-50(57)32-7-13-40(60)14-8-32)2-4-35-18-47(67)29-52-55(35)56(37-21-44(64)27-45(65)22-37)58(68-52)33-9-15-41(61)16-10-33/h1-23,26-29,49-50,53,56-67H,24-25H2/b4-2-/t49-,50-,53-,56+,57+,58-/m0/s1.

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

5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol has a molecular weight of 903.00 g/mol, XLogP of 11.42, 8 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,2R)-7-[(1S,2R)-6-[(Z)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol is sourced from PubChem (CID 171344894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).