1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene

C15H13Br — CID 10923714

IUPAC1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
SMILESBrc1ccccc1C/C=C/c1ccccc1
InChIInChI=1S/C15H13Br/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-10,12H,11H2/b9-6+
InChIKeyAWDFHQGWZGVSEG-RMKNXTFCSA-N
MW273.17 g/mol
LogP4.70
Rot. Bonds3

About 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene

1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene (PubChem CID 10923714) has the molecular formula C15H13Br and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
PubChem CID10923714
Molecular FormulaC15H13Br
Molecular Weight273.17 g/mol
Exact Mass272.02
IUPAC Name1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
SMILESBrc1ccccc1C/C=C/c1ccccc1
InChIInChI=1S/C15H13Br/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-10,12H,11H2/b9-6+
InChIKeyAWDFHQGWZGVSEG-RMKNXTFCSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
CID 141285952
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
1-bromo-2-[(E)-4,4-dimethylpent-2-enyl]benzene
CID 101266043
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine
CID 101454658
[(E)-3-[[(E)-3-phenylprop-2-enyl]diselanyl]prop-1-enyl]benzene
CID 132528237
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene?
The IUPAC name of 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene (CID 10923714) is 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene is Brc1ccccc1C/C=C/c1ccccc1.
What is the InChIKey of 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene?
The InChIKey is AWDFHQGWZGVSEG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13Br/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-10,12H,11H2/b9-6+.
What are the key properties of 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene?
1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene has a molecular weight of 273.17 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 10923714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).