1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene

C32H34O6 — CID 101045396

IUPAC1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
SMILESC=Cc1cc(OC)c(/C=C/c2cc(OC)c(/C=C/c3cc(OC)c(C=C)cc3OC)cc2OC)cc1OC
InChIInChI=1S/C32H34O6/c1-9-21-15-29(35-5)23(17-27(21)33-3)11-13-25-19-32(38-8)26(20-31(25)37-7)14-12-24-18-28(34-4)22(10-2)16-30(24)36-6/h9-20H,1-2H2,3-8H3/b13-11+,14-12+
InChIKeyJBALFUSLEHSFSX-PHEQNACWSA-N
MW514.62 g/mol
LogP7.36
Rot. Bonds12

About 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene

1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene (PubChem CID 101045396) has the molecular formula C32H34O6 and a molecular weight of 514.62 g/mol. Its IUPAC name is 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
PubChem CID101045396
Molecular FormulaC32H34O6
Molecular Weight514.62 g/mol
Exact Mass514.24
IUPAC Name1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
SMILESC=Cc1cc(OC)c(/C=C/c2cc(OC)c(/C=C/c3cc(OC)c(C=C)cc3OC)cc2OC)cc1OC
InChIInChI=1S/C32H34O6/c1-9-21-15-29(35-5)23(17-27(21)33-3)11-13-25-19-32(38-8)26(20-31(25)37-7)14-12-24-18-28(34-4)22(10-2)16-30(24)36-6/h9-20H,1-2H2,3-8H3/b13-11+,14-12+
InChIKeyJBALFUSLEHSFSX-PHEQNACWSA-N
XLogP7.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxy-2-[(E)-2-[5-dodecoxy-4-[(Z)-2-(5-dodecoxy-4-ethenyl-2-methoxyphenyl)ethenyl]-2-methoxyphenyl]ethenyl]-5-ethenyl-4-methoxybenzene
CID 177462913
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene
CID 139254758
1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
CID 176698285
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
5-ethenyl-4-methoxy-2-methylbenzaldehyde
CID 167242721
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole
CID 142470845
1-but-1-en-3-ynyl-5-ethenyl-4-methoxy-2-methylbenzene
CID 90737109
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
7-ethenyl-1,2,6-trimethoxynaphthalene
CID 66593812
(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene?
The IUPAC name of 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene (CID 101045396) is 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene.
What is the SMILES notation for 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene?
The canonical SMILES for 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene is C=Cc1cc(OC)c(/C=C/c2cc(OC)c(/C=C/c3cc(OC)c(C=C)cc3OC)cc2OC)cc1OC.
What is the InChIKey of 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene?
The InChIKey is JBALFUSLEHSFSX-PHEQNACWSA-N. The full InChI is InChI=1S/C32H34O6/c1-9-21-15-29(35-5)23(17-27(21)33-3)11-13-25-19-32(38-8)26(20-31(25)37-7)14-12-24-18-28(34-4)22(10-2)16-30(24)36-6/h9-20H,1-2H2,3-8H3/b13-11+,14-12+.
What are the key properties of 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene?
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene has a molecular weight of 514.62 g/mol, XLogP of 7.36, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene is sourced from PubChem (CID 101045396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).