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4-(2-Phenyl-tetrahydro-pyran-2-yl)-phenol

HCID 16734732
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(C2(c3ccccc3)CCCCO2)cc1
InChIKey
LAAWSRUILOCGMG-UHFFFAOYSA-N
Molecular formula
C17H18O2
Average molar mass
254.32 g/mol

Names & identifiers

Preferred name
4-(2-Phenyl-tetrahydro-pyran-2-yl)-phenol
IUPAC
4-(2-phenyloxan-2-yl)phenol

Names & synonyms

SCHEMBL1256629LAAWSRUILOCGMG-UHFFFAOYSA-N4-(2-Phenyl-tetrahydro-pyran-2-yl)-phenol

Database identifiers

PubChem CID
16734732

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
277

Related reactions

5 records
New reaction record
HRID 70736 reaction equation
HRID 70736As productuspto-grants-2014_09
HRID 70737 reaction equation
HRID 70737As reactantuspto-grants-2014_09
HRID 196105 reaction equation
HRID 196105As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1170558 reaction equation
HRID 1170558As productuspto-grants-2010_11
HRID 1170559 reaction equation
HRID 1170559As reactantuspto-grants-2010_11

Compound notes

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