1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C17H18O3 — CID 5388063

IUPAC1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
InChIKeyGDHNBPHYVRHYCC-SNAWJCMRSA-N
MW270.33 g/mol
LogP3.88
Rot. Bonds5

About 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 5388063) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID5388063
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
InChIKeyGDHNBPHYVRHYCC-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 5388063) is 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is GDHNBPHYVRHYCC-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+.
What are the key properties of 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1,3-dimethoxy-5-[(E)-2-(4-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 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 5388063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).