3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol

C12H17NO2 — CID 61027554

IUPAC3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
SMILESOCCCOc1cccc2c1NCCC2
InChIInChI=1S/C12H17NO2/c14-8-3-9-15-11-6-1-4-10-5-2-7-13-12(10)11/h1,4,6,13-14H,2-3,5,7-9H2
InChIKeyWSWCSURTRXOQPO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.81
Rot. Bonds4

About 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol

3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol (PubChem CID 61027554) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
PubChem CID61027554
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
SMILESOCCCOc1cccc2c1NCCC2
InChIInChI=1S/C12H17NO2/c14-8-3-9-15-11-6-1-4-10-5-2-7-13-12(10)11/h1,4,6,13-14H,2-3,5,7-9H2
InChIKeyWSWCSURTRXOQPO-UHFFFAOYSA-N
XLogP1.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
CID 61027161
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
CID 10631987
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
N-ethyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 62324258
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
CID 63901925
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115984072
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol?
The IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol (CID 61027554) is 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol?
The canonical SMILES for 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol is OCCCOc1cccc2c1NCCC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol?
The InChIKey is WSWCSURTRXOQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-3-9-15-11-6-1-4-10-5-2-7-13-12(10)11/h1,4,6,13-14H,2-3,5,7-9H2.
What are the key properties of 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol?
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol is sourced from PubChem (CID 61027554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).