2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane

C36H44O6 — CID 143919165

About 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane (PubChem CID 143919165) has the molecular formula C36H44O6 and a molecular weight of 572.74 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane.

Molecular Properties

• Compound Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane
• PubChem CID: 143919165
• Molecular Formula: C36H44O6
• Molecular Weight: 572.74 g/mol
• Exact Mass: 572.31
• IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane
• SMILES: CC.COc1ccc(/C=C/c2c(O)cc(/C=C/c3cc4c(c(OC)c3)OC3CCCC(C)(C)C3C4)cc2O)cc1OC
• InChI: InChI=1S/C34H38O6.C2H6/c1-34(2)14-6-7-29-26(34)20-24-15-22(19-32(39-5)33(24)40-29)8-9-23-16-27(35)25(28(36)17-23)12-10-21-11-13-30(37-3)31(18-21)38-4;1-2/h8-13,15-19,26,29,35-36H,6-7,14,20H2,1-5H3;1-2H3/b9-8+,12-10+
• InChIKey: MPGCGOZDQMCYLM-AJXSQWBMSA-N
• XLogP: 8.62
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.74
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane?

The IUPAC name of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane (CID 143919165) is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane.

What is the SMILES notation for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane?

The canonical SMILES for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane is CC.COc1ccc(/C=C/c2c(O)cc(/C=C/c3cc4c(c(OC)c3)OC3CCCC(C)(C)C3C4)cc2O)cc1OC.

What is the InChIKey of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane?

The InChIKey is MPGCGOZDQMCYLM-AJXSQWBMSA-N. The full InChI is InChI=1S/C34H38O6.C2H6/c1-34(2)14-6-7-29-26(34)20-24-15-22(19-32(39-5)33(24)40-29)8-9-23-16-27(35)25(28(36)17-23)12-10-21-11-13-30(37-3)31(18-21)38-4;1-2/h8-13,15-19,26,29,35-36H,6-7,14,20H2,1-5H3;1-2H3/b9-8+,12-10+;.

What are the key properties of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane?

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane has a molecular weight of 572.74 g/mol, XLogP of 8.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[(E)-2-(4-methoxy-8,8-dimethyl-5,6,7,8a,9,10a-hexahydroxanthen-2-yl)ethenyl]benzene-1,3-diol;ethane is sourced from PubChem (CID 143919165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).