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(2-Heptyloxy-4-iodophenyl)methanol (HCID 68768142)|Huagongshe
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Compound
(2-Heptyloxy-4-iodophenyl)methanol
HCID
68768142
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCOc1cc(I)ccc1CO
InChIKey
ONUODSPRYYHVOC-UHFFFAOYSA-N
Molecular formula
C14H21IO2
Average molar mass
348.22 g/mol
Monoisotopic mass
348.05863
Names & identifiers
Preferred name
(2-Heptyloxy-4-iodophenyl)methanol
IUPAC
(2-heptoxy-4-iodophenyl)methanol
Names & synonyms
SCHEMBL3739881
ONUODSPRYYHVOC-UHFFFAOYSA-N
(2-Heptyloxy-4-iodophenyl)methanol
Database identifiers
PubChem CID
68768142
Properties
Computed structural properties
XLogP
4.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
17
Formal charge
0
Complexity
187
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Related reactions
8 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
140186
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
295602
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1124618
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1171431
As product
uspto-grants-2010_11
HRID
1171432
As reactant
uspto-grants-2010_11
HRID
1171439
As product
uspto-grants-2010_11
HRID
1171442
As reactant
uspto-grants-2010_11
HRID
1573169
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes
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