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1-(4-Isobutylphenyl)hexan-1-ol (HCID 10933430)|Huagongshe
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Compound
1-(4-Isobutylphenyl)hexan-1-ol
HCID
10933430
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCC(O)c1ccc(CC(C)C)cc1
InChIKey
LILNXNJUTKZRTF-UHFFFAOYSA-N
Molecular formula
C16H26O
Average molar mass
234.38 g/mol
Names & identifiers
Preferred name
1-(4-Isobutylphenyl)hexan-1-ol
IUPAC
1-[4-(2-methylpropyl)phenyl]hexan-1-ol
Names & synonyms
SCHEMBL8119681
1-(4-isobutylphenyl)hexan-1-ol
LILNXNJUTKZRTF-UHFFFAOYSA-N
AKOS012735707
Database identifiers
PubChem CID
10933430
Properties
Computed structural properties
XLogP
5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
17
Formal charge
0
Complexity
180
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Related reactions
8 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
249184
As product
uspto-grants-1993_05
HRID
249185
As reactant
uspto-grants-1993_05
HRID
305018
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
946318
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1034094
As product
uspto-grants-1994_05
HRID
1034095
As reactant
uspto-grants-1994_05
HRID
1741817
As product
uspto-grants-1994_08
HRID
1741818
As reactant
uspto-grants-1994_08
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Compound notes
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