1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene

C19H21Br — CID 10381897

IUPAC1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(CBr)cc2)cc1
InChIInChI=1S/C19H21Br/c1-19(2,3)18-12-10-16(11-13-18)5-4-15-6-8-17(14-20)9-7-15/h4-13H,14H2,1-3H3/b5-4+
InChIKeyRZIVBZZETYFRRI-SNAWJCMRSA-N
MW329.28 g/mol
LogP6.05
Rot. Bonds3

About 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene

1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene (PubChem CID 10381897) has the molecular formula C19H21Br and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
PubChem CID10381897
Molecular FormulaC19H21Br
Molecular Weight329.28 g/mol
Exact Mass328.08
IUPAC Name1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(CBr)cc2)cc1
InChIInChI=1S/C19H21Br/c1-19(2,3)18-12-10-16(11-13-18)5-4-15-6-8-17(14-20)9-7-15/h4-13H,14H2,1-3H3/b5-4+
InChIKeyRZIVBZZETYFRRI-SNAWJCMRSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
CID 59816802
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
N,N-bis[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-4-[(E)-2-[4-[(trimethyl-λ4-sulfanyl)methyl]phenyl]ethenyl]aniline
CID 143481097
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
CID 170498464
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
The IUPAC name of 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene (CID 10381897) is 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
The canonical SMILES for 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene is CC(C)(C)c1ccc(/C=C/c2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
The InChIKey is RZIVBZZETYFRRI-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H21Br/c1-19(2,3)18-12-10-16(11-13-18)5-4-15-6-8-17(14-20)9-7-15/h4-13H,14H2,1-3H3/b5-4+.
What are the key properties of 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene?
1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene has a molecular weight of 329.28 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene is sourced from PubChem (CID 10381897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).