1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene

C18H19Br — CID 141008149

IUPAC1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
SMILESCC(C)(Br)c1ccccc1CC=Cc1ccccc1
InChIInChI=1S/C18H19Br/c1-18(2,19)17-14-7-6-12-16(17)13-8-11-15-9-4-3-5-10-15/h3-12,14H,13H2,1-2H3
InChIKeyILRIOWKPLDYQOT-UHFFFAOYSA-N
MW315.25 g/mol
LogP5.57
Rot. Bonds4

About 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene

1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene (PubChem CID 141008149) has the molecular formula C18H19Br and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene.

Molecular Properties

Compound Name1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
PubChem CID141008149
Molecular FormulaC18H19Br
Molecular Weight315.25 g/mol
Exact Mass314.07
IUPAC Name1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
SMILESCC(C)(Br)c1ccccc1CC=Cc1ccccc1
InChIInChI=1S/C18H19Br/c1-18(2,19)17-14-7-6-12-16(17)13-8-11-15-9-4-3-5-10-15/h3-12,14H,13H2,1-2H3
InChIKeyILRIOWKPLDYQOT-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.25
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene
CID 70537226
2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
CID 54476049
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
CID 54063316
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
CID 141285952

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene?
The IUPAC name of 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene (CID 141008149) is 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene.
What is the SMILES notation for 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene?
The canonical SMILES for 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene is CC(C)(Br)c1ccccc1CC=Cc1ccccc1.
What is the InChIKey of 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene?
The InChIKey is ILRIOWKPLDYQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br/c1-18(2,19)17-14-7-6-12-16(17)13-8-11-15-9-4-3-5-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene?
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene has a molecular weight of 315.25 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene is sourced from PubChem (CID 141008149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).