1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene

C28H23BrO — CID 132516293

IUPAC1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
SMILESBrCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23BrO/c29-20-21-30-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19H,20-21H2
InChIKeyQSKJJBPDWIHDIL-UHFFFAOYSA-N
MW455.40 g/mol
LogP7.47
Rot. Bonds7

About 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene

1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene (PubChem CID 132516293) has the molecular formula C28H23BrO and a molecular weight of 455.40 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
PubChem CID132516293
Molecular FormulaC28H23BrO
Molecular Weight455.40 g/mol
Exact Mass454.09
IUPAC Name1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
SMILESBrCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23BrO/c29-20-21-30-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19H,20-21H2
InChIKeyQSKJJBPDWIHDIL-UHFFFAOYSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 66591459
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
1-bromo-4-[1-(4-octoxyphenyl)-2,2-diphenylethenyl]benzene
CID 134249125
1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 53348773
2-[4-[(Z)-4-bromo-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 13424658
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
CID 164901767
4-[4-[(E)-1,2-diphenyl-2-[4-[4-(triethylazaniumyl)butoxy]phenyl]ethenyl]phenoxy]butyl-triethylazanium dibromide
CID 159603734
1-(6-azidohexoxy)-4-[(E)-2-[4-(6-azidohexoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 102424524
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene (CID 132516293) is 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene is BrCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene?
The InChIKey is QSKJJBPDWIHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrO/c29-20-21-30-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19H,20-21H2.
What are the key properties of 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene?
1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene has a molecular weight of 455.40 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 132516293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).