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3-[p-[1-Hydroxy-3-(2-hydroxyethyl)oxy-2-methylpropyl]benzyl]pyridine

HCID 20148604
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Basic information

Standard SMILES
CC(COCCO)C(O)c1ccc(Cc2cccnc2)cc1
InChIKey
WUMOYDBOZSMXPF-UHFFFAOYSA-N
Molecular formula
C18H23NO3
Average molar mass
301.4 g/mol

Names & identifiers

Preferred name
3-[p-[1-Hydroxy-3-(2-hydroxyethyl)oxy-2-methylpropyl]benzyl]pyridine
IUPAC
3-(2-hydroxyethoxy)-2-methyl-1-[4-(pyridin-3-ylmethyl)phenyl]propan-1-ol

Names & synonyms

SCHEMBL10661899WUMOYDBOZSMXPF-UHFFFAOYSA-N3-[p-[1-hydroxy-3-(2-hydroxyethyl)oxy-2-methylpropyl]benzyl]pyridine

Database identifiers

PubChem CID
20148604

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
62.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
292

Related reactions

6 records
New reaction record
HRID 569162 reaction equation
HRID 569162As productuspto-grants-1988_03
HRID 569174 reaction equation
HRID 569174As reactantuspto-grants-1988_03
HRID 986443 reaction equation
HRID 986443As productuspto-grants-1987_12
HRID 986458 reaction equation
HRID 986458As reactantuspto-grants-1987_12
HRID 1120145 reaction equation
HRID 1120145As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1220047 reaction equation
HRID 1220047As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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