5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene

C19H20O3 — CID 59348795

IUPAC5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESC=Cc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20O3/c1-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)19(22-4)18(13-16)21-3/h5-13H,1H2,2-4H3/b11-10+
InChIKeyZVZLIZRVNRHMFR-ZHACJKMWSA-N
MW296.37 g/mol
LogP4.53
Rot. Bonds6

About 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 59348795) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID59348795
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESC=Cc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20O3/c1-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)19(22-4)18(13-16)21-3/h5-13H,1H2,2-4H3/b11-10+
InChIKeyZVZLIZRVNRHMFR-ZHACJKMWSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-(4-ethenylphenoxy)-1,2,3-trimethoxybenzene
CID 130377348
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 137454170
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
4-ethenyl-1,2-dimethoxybenzene
CID 159733418

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 59348795) is 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene is C=Cc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is ZVZLIZRVNRHMFR-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20O3/c1-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)19(22-4)18(13-16)21-3/h5-13H,1H2,2-4H3/b11-10+.
What are the key properties of 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 296.37 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 59348795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).