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2-Cyclopropoxy-5-(trifluoromethoxy)benzenemethanol

HCID 22293579
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1cc(OC(F)(F)F)ccc1OC1CC1
InChIKey
PWMJVBKVHBSURJ-UHFFFAOYSA-N
Molecular formula
C11H11F3O3
Average molar mass
248.2 g/mol

Names & identifiers

Preferred name
2-Cyclopropoxy-5-(trifluoromethoxy)benzenemethanol
IUPAC
[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methanol

Names & synonyms

2-cyclopropoxy-5-(trifluoromethoxy)benzenemethanolSCHEMBL64825102-(cyclopropyloxy)-5-(trifluoromethoxy)benzenemethanol

Database identifiers

PubChem CID
22293579

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
253

Related reactions

4 records
New reaction record
HRID 323762 reaction equation
HRID 323762As reactantuspto-grants-2001_04
HRID 679510 reaction equation
HRID 679510As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 966971 reaction equation
HRID 966971As reactantuspto-grants-2005_10
HRID 2134852 reaction equation
HRID 2134852As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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