5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene

C23H29BrO3 — CID 640261

IUPAC5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene
SMILESCCCOc1cc(/C=C/c2ccc(Br)cc2)cc(OCCC)c1OCCC
InChIInChI=1S/C23H29BrO3/c1-4-13-25-21-16-19(8-7-18-9-11-20(24)12-10-18)17-22(26-14-5-2)23(21)27-15-6-3/h7-12,16-17H,4-6,13-15H2,1-3H3/b8-7+
InChIKeyQZJXJPABPCTGSY-BQYQJAHWSA-N
MW433.39 g/mol
LogP6.99
Rot. Bonds11

About 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene

5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene (PubChem CID 640261) has the molecular formula C23H29BrO3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene
PubChem CID640261
Molecular FormulaC23H29BrO3
Molecular Weight433.39 g/mol
Exact Mass432.13
IUPAC Name5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene
SMILESCCCOc1cc(/C=C/c2ccc(Br)cc2)cc(OCCC)c1OCCC
InChIInChI=1S/C23H29BrO3/c1-4-13-25-21-16-19(8-7-18-9-11-20(24)12-10-18)17-22(26-14-5-2)23(21)27-15-6-3/h7-12,16-17H,4-6,13-15H2,1-3H3/b8-7+
InChIKeyQZJXJPABPCTGSY-BQYQJAHWSA-N
XLogP6.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(4-isocyanatophenyl)ethenyl]-1,2,3-tripropoxybenzene
CID 102253109
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
N,N,N',N'-tetrakis[3-[[4-[(E)-2-(3,4,5-tripropoxyphenyl)ethenyl]phenyl]methylamino]propyl]butane-1,4-diamine
CID 101442431
5-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]benzene-1,3-diol
CID 10815635
1,2,3,4,5-pentapropoxybenzene
CID 91365553
(1E,6E)-1,7-bis[3,4-bis(2-aminoethoxy)-5-propoxyphenyl]hepta-1,6-diene-3,5-dione
CID 160746147
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
2-[8-(2,6-dimethoxyphenoxy)octoxy]-5-[(E)-2-[4-[(E)-2-[4-[8-[4-[(E)-2-[4-[(E)-2-[4-[8-(2,6-dimethoxyphenoxy)octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-2,6-dimethoxyphenoxy]octoxy]-3,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-dimethoxybenzene
CID 101038496
3-(3-bromo-5-ethoxy-4-propoxyphenyl)prop-2-enoic acid
CID 57360342
2-[4,6-bis[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyrimidin-2-yl]-4,6-bis[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyrimidine
CID 122223352
(E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-tripropoxyphenyl)prop-2-en-1-one
CID 19824741
3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol
CID 79334203

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene?
The IUPAC name of 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene (CID 640261) is 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene.
What is the SMILES notation for 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene?
The canonical SMILES for 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene is CCCOc1cc(/C=C/c2ccc(Br)cc2)cc(OCCC)c1OCCC.
What is the InChIKey of 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene?
The InChIKey is QZJXJPABPCTGSY-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H29BrO3/c1-4-13-25-21-16-19(8-7-18-9-11-20(24)12-10-18)17-22(26-14-5-2)23(21)27-15-6-3/h7-12,16-17H,4-6,13-15H2,1-3H3/b8-7+.
What are the key properties of 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene?
5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene has a molecular weight of 433.39 g/mol, XLogP of 6.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene is sourced from PubChem (CID 640261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).