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(2e)-3-(4-Bromophenyl)-2-buten-1-ol (HCID 69754659)|Huagongshe
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Compound
(2e)-3-(4-Bromophenyl)-2-buten-1-ol
HCID
69754659
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(=CCO)c1ccc(Br)cc1
InChIKey
UVKXFXLNMAMGFI-UHFFFAOYSA-N
Molecular formula
C10H11BrO
Average molar mass
227.1 g/mol
Names & identifiers
Preferred name
(2e)-3-(4-Bromophenyl)-2-buten-1-ol
IUPAC
3-(4-bromophenyl)but-2-en-1-ol
Names & synonyms
(2e)-3-(4-bromophenyl)-2-buten-1-ol
352287-97-9
(2E)-3-(4-bromophenyl)but-2-en-1-ol
SCHEMBL6365628
Database identifiers
PubChem CID
69754659
Properties
Computed structural properties
XLogP
3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
157
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Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
100646
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
936738
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1220794
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1570334
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2344302
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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Compound notes
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