2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene

C17H18O3 — CID 90666858

IUPAC2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
SMILESCOc1cccc(/C=C/c2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H18O3/c1-18-15-6-4-5-13(11-15)7-8-14-9-10-16(19-2)12-17(14)20-3/h4-12H,1-3H3/b8-7+
InChIKeyZMRKJULMXIOLJI-BQYQJAHWSA-N
MW270.33 g/mol
LogP3.88
Rot. Bonds5

About 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene

2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene (PubChem CID 90666858) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
PubChem CID90666858
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
SMILESCOc1cccc(/C=C/c2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H18O3/c1-18-15-6-4-5-13(11-15)7-8-14-9-10-16(19-2)12-17(14)20-3/h4-12H,1-3H3/b8-7+
InChIKeyZMRKJULMXIOLJI-BQYQJAHWSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.88
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-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene
CID 175647423
1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
CID 59502056
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 7514790
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene (CID 90666858) is 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene is COc1cccc(/C=C/c2ccc(OC)cc2OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
The InChIKey is ZMRKJULMXIOLJI-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-15-6-4-5-13(11-15)7-8-14-9-10-16(19-2)12-17(14)20-3/h4-12H,1-3H3/b8-7+.
What are the key properties of 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene?
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene has a molecular weight of 270.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 90666858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).