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2-(2',3'-Difluoro-4'-octyloxyphenyl)-5-hydroxypyrimidine

HCID 21832467
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCOc1ccc(-c2ncc(O)cn2)c(F)c1F
InChIKey
FBNXHOYREGZBAX-UHFFFAOYSA-N
Molecular formula
C18H22F2N2O2
Average molar mass
336.4 g/mol
Monoisotopic mass
336.16493427

Names & identifiers

Preferred name
2-(2',3'-Difluoro-4'-octyloxyphenyl)-5-hydroxypyrimidine
IUPAC
2-(2,3-difluoro-4-octoxyphenyl)pyrimidin-5-ol

Names & synonyms

SCHEMBL7463536FBNXHOYREGZBAX-UHFFFAOYSA-N2-(2',3'-Difluoro-4'-octyloxyphenyl)-5-hydroxypyrimidine

Database identifiers

PubChem CID
21832467

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
55.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
24
Formal charge
0
Complexity
341

Related reactions

4 records
New reaction record
HRID 89264 reaction equation
HRID 89264As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1115799 reaction equation
HRID 1115799As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1603302 reaction equation
HRID 1603302As productuspto-grants-1999_11
HRID 1603303 reaction equation
HRID 1603303As reactantuspto-grants-1999_11

Compound notes

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