3-Quinolinepropanol

HCID 19082021

Notes Reactions

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Basic information

Standard SMILES: OCCCc1cnc2ccccc2c1
InChIKey: VGNXCIFPHCFVMH-UHFFFAOYSA-N
Molecular formula: C12H13NO
Average molar mass: 187.24 g/mol

Names & identifiers

Preferred name: 3-Quinolinepropanol
IUPAC: 3-quinolin-3-ylpropan-1-ol

Names & synonyms

3-(Quinolin-3-yl)propan-1-ol174523-99-03-Quinolinepropanol3-(3-hydroxypropyl)quinoline3-quinolin-3-ylpropan-1-ol3-(3-quinolyl)propan-1-olSCHEMBL272056SCHEMBL2720573-(3-hydroxypropyl)-quinolineVGNXCIFPHCFVMH-UHFFFAOYSA-NAKOS006311920DS-001145

Show more names

CS-0355269EN300-1849085

Database identifiers

PubChem CID: 19082021

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 172

Related reactions

6 records

New reaction record

HRID 53219As productuspto-grants-1997_04

HRID 53220As reactantuspto-grants-1997_04

HRID 314403As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 935455As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 963323As productuspto-grants-1998_06

HRID 963324As reactantuspto-grants-1998_06

Compound notes

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