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1-(1-Phenylpyrrol-2-yl)hexan-1-ol (HCID 21281114)|Huagongshe
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Compound
1-(1-Phenylpyrrol-2-yl)hexan-1-ol
HCID
21281114
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Compound notes
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Basic information
Standard SMILES
CCCCCC(O)c1cccn1-c1ccccc1
InChIKey
FEIYZIKQMDCYFX-UHFFFAOYSA-N
Molecular formula
C16H21NO
Average molar mass
243.34 g/mol
Names & identifiers
Preferred name
1-(1-Phenylpyrrol-2-yl)hexan-1-ol
IUPAC
1-(1-phenylpyrrol-2-yl)hexan-1-ol
Names & synonyms
SCHEMBL10621864
Database identifiers
PubChem CID
21281114
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
25.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
225
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
2131605
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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