2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

C34H34O5 — CID 118955388

About 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 118955388) has the molecular formula C34H34O5 and a molecular weight of 522.64 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

• Compound Name: 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
• PubChem CID: 118955388
• Molecular Formula: C34H34O5
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.24
• IUPAC Name: 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
• SMILES: C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.COc1cc(/C=C/c2ccccc2)cc(OC)c1O
• InChI: InChI=1S/C18H18O2.C16H16O3/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;1-18-14-10-13(11-15(19-2)16(14)17)9-8-12-6-4-3-5-7-12/h3-4,7-12,19-20H,1-2,5-6H2;3-11,17H,1-2H3/b;9-8+
• InChIKey: ZNEAJDXSPQDABI-RJDPJKJLSA-N
• XLogP: 7.80
• TPSA: 79.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?

The IUPAC name of 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 118955388) is 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.

What is the SMILES notation for 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?

The canonical SMILES for 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.COc1cc(/C=C/c2ccccc2)cc(OC)c1O.

What is the InChIKey of 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?

The InChIKey is ZNEAJDXSPQDABI-RJDPJKJLSA-N. The full InChI is InChI=1S/C18H18O2.C16H16O3/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;1-18-14-10-13(11-15(19-2)16(14)17)9-8-12-6-4-3-5-7-12/h3-4,7-12,19-20H,1-2,5-6H2;3-11,17H,1-2H3/b;9-8+.

What are the key properties of 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?

2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 522.64 g/mol, XLogP of 7.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 118955388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).