1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene

C28H26O2 — CID 89211050

IUPAC1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
SMILESC=CCOc1ccc(C=Cc2ccc(C=Cc3ccc(OCC=C)cc3)cc2)cc1
InChIInChI=1S/C28H26O2/c1-3-21-29-27-17-13-25(14-18-27)11-9-23-5-7-24(8-6-23)10-12-26-15-19-28(20-16-26)30-22-4-2/h3-20H,1-2,21-22H2
InChIKeyRWGPJTSAVVRMMA-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.16
Rot. Bonds10

About 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene

1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene (PubChem CID 89211050) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
PubChem CID89211050
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
SMILESC=CCOc1ccc(C=Cc2ccc(C=Cc3ccc(OCC=C)cc3)cc2)cc1
InChIInChI=1S/C28H26O2/c1-3-21-29-27-17-13-25(14-18-27)11-9-23-5-7-24(8-6-23)10-12-26-15-19-28(20-16-26)30-22-4-2/h3-20H,1-2,21-22H2
InChIKeyRWGPJTSAVVRMMA-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine
CID 79347200
CID 174846151
CID 174846151
N-[(4-fluorophenyl)methylideneamino]-1-(4-prop-2-enoxyphenyl)methanimine
CID 54289846
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
2-chloroethyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 12636996
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
(4-prop-2-enoxyphenyl)methanetriol
CID 57095979
(4-prop-2-enoxyphenyl)hydrazine
CID 14980521

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene (CID 89211050) is 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene is C=CCOc1ccc(C=Cc2ccc(C=Cc3ccc(OCC=C)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene?
The InChIKey is RWGPJTSAVVRMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-3-21-29-27-17-13-25(14-18-27)11-9-23-5-7-24(8-6-23)10-12-26-15-19-28(20-16-26)30-22-4-2/h3-20H,1-2,21-22H2.
What are the key properties of 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene?
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene has a molecular weight of 394.51 g/mol, XLogP of 7.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 89211050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).