[3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol

C35H38O8 — CID 89026769

About [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol

[3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol (PubChem CID 89026769) has the molecular formula C35H38O8 and a molecular weight of 586.68 g/mol. Its IUPAC name is [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol.

Molecular Properties

• Compound Name: [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol
• PubChem CID: 89026769
• Molecular Formula: C35H38O8
• Molecular Weight: 586.68 g/mol
• Exact Mass: 586.26
• IUPAC Name: [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol
• SMILES: COc1ccc(/C=C/c2c(C(O)c3cc(C)cc(OC)c3)c(OC)cc(OC)c2C(O)c2cc(OC)cc(OC)c2)cc1
• InChI: InChI=1S/C35H38O8/c1-21-14-23(16-26(15-21)39-3)34(36)32-29(13-10-22-8-11-25(38-2)12-9-22)33(31(43-7)20-30(32)42-6)35(37)24-17-27(40-4)19-28(18-24)41-5/h8-20,34-37H,1-7H3/b13-10+
• InChIKey: FWMDNTNYBJRFAN-JLHYYAGUSA-N
• XLogP: 6.38
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.68
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol?

The IUPAC name of [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol (CID 89026769) is [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol.

What is the SMILES notation for [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol?

The canonical SMILES for [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol is COc1ccc(/C=C/c2c(C(O)c3cc(C)cc(OC)c3)c(OC)cc(OC)c2C(O)c2cc(OC)cc(OC)c2)cc1.

What is the InChIKey of [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol?

The InChIKey is FWMDNTNYBJRFAN-JLHYYAGUSA-N. The full InChI is InChI=1S/C35H38O8/c1-21-14-23(16-26(15-21)39-3)34(36)32-29(13-10-22-8-11-25(38-2)12-9-22)33(31(43-7)20-30(32)42-6)35(37)24-17-27(40-4)19-28(18-24)41-5/h8-20,34-37H,1-7H3/b13-10+.

What are the key properties of [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol?

[3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol has a molecular weight of 586.68 g/mol, XLogP of 6.38, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 89026769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).