4-propoxy-1-pyridin-3-ylbutan-2-ol

C12H19NO2 — CID 105125026

IUPAC4-propoxy-1-pyridin-3-ylbutan-2-ol
SMILESCCCOCCC(O)Cc1cccnc1
InChIInChI=1S/C12H19NO2/c1-2-7-15-8-5-12(14)9-11-4-3-6-13-10-11/h3-4,6,10,12,14H,2,5,7-9H2,1H3
InChIKeyKRJNLASQZOIZAI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds7

About 4-propoxy-1-pyridin-3-ylbutan-2-ol

4-propoxy-1-pyridin-3-ylbutan-2-ol (PubChem CID 105125026) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-propoxy-1-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-propoxy-1-pyridin-3-ylbutan-2-ol
PubChem CID105125026
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-propoxy-1-pyridin-3-ylbutan-2-ol
SMILESCCCOCCC(O)Cc1cccnc1
InChIInChI=1S/C12H19NO2/c1-2-7-15-8-5-12(14)9-11-4-3-6-13-10-11/h3-4,6,10,12,14H,2,5,7-9H2,1H3
InChIKeyKRJNLASQZOIZAI-UHFFFAOYSA-N
XLogP1.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-3-ylpentan-2-ol
CID 62553061
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518
1-phenyl-4-propoxybutan-2-ol
CID 105076516
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
CID 103089755
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
methyl 2-(pyridin-3-ylmethyl)pentanoate
CID 174237588

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1-pyridin-3-ylbutan-2-ol?
The IUPAC name of 4-propoxy-1-pyridin-3-ylbutan-2-ol (CID 105125026) is 4-propoxy-1-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 4-propoxy-1-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 4-propoxy-1-pyridin-3-ylbutan-2-ol is CCCOCCC(O)Cc1cccnc1.
What is the InChIKey of 4-propoxy-1-pyridin-3-ylbutan-2-ol?
The InChIKey is KRJNLASQZOIZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-7-15-8-5-12(14)9-11-4-3-6-13-10-11/h3-4,6,10,12,14H,2,5,7-9H2,1H3.
What are the key properties of 4-propoxy-1-pyridin-3-ylbutan-2-ol?
4-propoxy-1-pyridin-3-ylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 105125026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).