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(2-(Cyclohexyl(methoxy)methyl)-5-(trifluoromethyl)phenyl)methanol

HCID 58968734
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(c1ccc(C(F)(F)F)cc1CO)C1CCCCC1
InChIKey
ONKZPCPMAFSUJV-UHFFFAOYSA-N
Molecular formula
C16H21F3O2
Average molar mass
302.33 g/mol

Names & identifiers

Preferred name
(2-(Cyclohexyl(methoxy)methyl)-5-(trifluoromethyl)phenyl)methanol
IUPAC
[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methanol

Names & synonyms

(2-(cyclohexyl(methoxy)methyl)-5-(trifluoromethyl)phenyl)methanolSCHEMBL1599606

Database identifiers

PubChem CID
58968734

Properties

Computed structural properties

XLogP
4
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
313

Related reactions

6 records
New reaction record
HRID 289921 reaction equation
HRID 289921As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 834287 reaction equation
HRID 834287As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1219810 reaction equation
HRID 1219810As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2075055 reaction equation
HRID 2075055As productuspto-grants-2011_04
HRID 2075056 reaction equation
HRID 2075056As reactantuspto-grants-2011_04
HRID 2334046 reaction equation
HRID 2334046As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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