1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene

C30H26Br2O2 — CID 66591459

IUPAC1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
SMILESBrCCOc1ccc(C(=C(c2ccccc2)c2ccc(OCCBr)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H26Br2O2/c31-19-21-33-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)26-13-17-28(18-14-26)34-22-20-32/h1-18H,19-22H2
InChIKeyHKELWXIGAZRCSP-UHFFFAOYSA-N
MW578.34 g/mol
LogP8.24
Rot. Bonds10

About 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene

1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene (PubChem CID 66591459) has the molecular formula C30H26Br2O2 and a molecular weight of 578.34 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
PubChem CID66591459
Molecular FormulaC30H26Br2O2
Molecular Weight578.34 g/mol
Exact Mass576.03
IUPAC Name1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
SMILESBrCCOc1ccc(C(=C(c2ccccc2)c2ccc(OCCBr)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H26Br2O2/c31-19-21-33-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)26-13-17-28(18-14-26)34-22-20-32/h1-18H,19-22H2
InChIKeyHKELWXIGAZRCSP-UHFFFAOYSA-N
XLogP8.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.34
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,2,2-triphenylethenyl)benzene
CID 132516293
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-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
The IUPAC name of 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene (CID 66591459) is 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene.
What is the SMILES notation for 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
The canonical SMILES for 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene is BrCCOc1ccc(C(=C(c2ccccc2)c2ccc(OCCBr)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
The InChIKey is HKELWXIGAZRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2O2/c31-19-21-33-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)26-13-17-28(18-14-26)34-22-20-32/h1-18H,19-22H2.
What are the key properties of 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene has a molecular weight of 578.34 g/mol, XLogP of 8.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene is sourced from PubChem (CID 66591459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).