1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

C36H40O8 — CID 139077239

IUPAC1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1.COc1cc(/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/2C18H20O4/c2*1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h2*5-12H,1-4H3/b2*6-5+
InChIKeyYVSXLJJKDVATRX-HBVWGTQWSA-N
MW600.71 g/mol
LogP7.78
Rot. Bonds12

About 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene (PubChem CID 139077239) has the molecular formula C36H40O8 and a molecular weight of 600.71 g/mol. Its IUPAC name is 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
PubChem CID139077239
Molecular FormulaC36H40O8
Molecular Weight600.71 g/mol
Exact Mass600.27
IUPAC Name1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1.COc1cc(/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/2C18H20O4/c2*1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h2*5-12H,1-4H3/b2*6-5+
InChIKeyYVSXLJJKDVATRX-HBVWGTQWSA-N
XLogP7.78
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.71
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene (CID 139077239) is 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene is COc1cc(/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1.COc1cc(/C=C/c2cc(OC)cc(OC)c2)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The InChIKey is YVSXLJJKDVATRX-HBVWGTQWSA-N. The full InChI is InChI=1S/2C18H20O4/c2*1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h2*5-12H,1-4H3/b2*6-5+.
What are the key properties of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene has a molecular weight of 600.71 g/mol, XLogP of 7.78, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 139077239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).