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Compound
1-(4-Bromo-3,5-dimethoxyphenyl)propan-1-ol
HCID
58432003
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CCC(O)c1cc(OC)c(Br)c(OC)c1
InChIKey
SJCGVMGNOINXHP-UHFFFAOYSA-N
Molecular formula
C11H15BrO3
Average molar mass
275.14 g/mol
Names & identifiers
Preferred name
1-(4-Bromo-3,5-dimethoxyphenyl)propan-1-ol
IUPAC
1-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol
Names & synonyms
1-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol
SCHEMBL2388775
SJCGVMGNOINXHP-UHFFFAOYSA-N
Database identifiers
PubChem CID
58432003
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
175
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Related reactions
10 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
56584
As product
uspto-grants-2016_09
HRID
56585
As reactant
uspto-grants-2016_09
HRID
93343
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
512683
As product
uspto-grants-2015_08
HRID
512684
As reactant
uspto-grants-2015_08
HRID
1121056
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1798653
As product
uspto-grants-2013_01
HRID
1798654
As reactant
uspto-grants-2013_01
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