1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene

C22H26O3 — CID 155525363

IUPAC1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene
SMILESCOc1cc(/C=C/c2ccc(OC)c(CC=C(C)C)c2)cc(OC)c1
InChIInChI=1S/C22H26O3/c1-16(2)6-10-19-12-17(9-11-22(19)25-5)7-8-18-13-20(23-3)15-21(14-18)24-4/h6-9,11-15H,10H2,1-5H3/b8-7+
InChIKeyIYZCXRZQLCNWOY-BQYQJAHWSA-N
MW338.45 g/mol
LogP5.39
Rot. Bonds7

About 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene

1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene (PubChem CID 155525363) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene
PubChem CID155525363
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene
SMILESCOc1cc(/C=C/c2ccc(OC)c(CC=C(C)C)c2)cc(OC)c1
InChIInChI=1S/C22H26O3/c1-16(2)6-10-19-12-17(9-11-22(19)25-5)7-8-18-13-20(23-3)15-21(14-18)24-4/h6-9,11-15H,10H2,1-5H3/b8-7+
InChIKeyIYZCXRZQLCNWOY-BQYQJAHWSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene (CID 155525363) is 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene is COc1cc(/C=C/c2ccc(OC)c(CC=C(C)C)c2)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene?
The InChIKey is IYZCXRZQLCNWOY-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H26O3/c1-16(2)6-10-19-12-17(9-11-22(19)25-5)7-8-18-13-20(23-3)15-21(14-18)24-4/h6-9,11-15H,10H2,1-5H3/b8-7+.
What are the key properties of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene?
1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene has a molecular weight of 338.45 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 155525363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).