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2-(Pyridin-4-yloxy)ethanol

HCID 3376012
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCCOc1ccncc1
InChIKey
MDNNVQNQXQBAJM-UHFFFAOYSA-N
Molecular formula
C7H9NO2
Average molar mass
139.15 g/mol
Monoisotopic mass
139.06332853

Names & identifiers

Preferred name
2-(Pyridin-4-yloxy)ethanol
IUPAC
2-pyridin-4-yloxyethanol

Names & synonyms

2-(pyridin-4-yloxy)ethanol86450-38-62-(4-pyridinyloxy)-Ethanol2-(4-pyridyloxy)ethanol4-(2-hydroxyethoxy)pyridineSCHEMBL1097894SCHEMBL1097898MDNNVQNQXQBAJM-UHFFFAOYSA-NDB-292022

Database identifiers

PubChem CID
3376012
Nikkaji
J3.623.765A

Properties

Computed structural propertiesFilling in

XLogP
0.1
Topological polar surface area
42.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
81

Related reactions

11 records
New reaction record
HRID 174683 reaction equation
HRID 174683As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 279529 reaction equation
HRID 279529As reactantuspto-grants-2002_03
HRID 454079 reaction equation
HRID 454079As reactantuspto-grants-2013_07
HRID 1247930 reaction equation
HRID 1247930As productuspto-grants-1985_06
HRID 1384542 reaction equation
HRID 1384542As reactantuspto-grants-2001_07
HRID 1420922 reaction equation
HRID 1420922As reactantuspto-grants-2000_06
HRID 1549576 reaction equation
HRID 1549576As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1737490 reaction equation
HRID 1737490As reactantuspto-grants-1999_10
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Compound notes

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