4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol

C16H21NO3 — CID 65164827

IUPAC4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol
SMILESOCCC#Cc1cncc(OCCCC2CCCO2)c1
InChIInChI=1S/C16H21NO3/c18-8-2-1-5-14-11-16(13-17-12-14)20-10-4-7-15-6-3-9-19-15/h11-13,15,18H,2-4,6-10H2
InChIKeySTKPYMAEFWAPIA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds6

About 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol

4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol (PubChem CID 65164827) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol
PubChem CID65164827
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol
SMILESOCCC#Cc1cncc(OCCCC2CCCO2)c1
InChIInChI=1S/C16H21NO3/c18-8-2-1-5-14-11-16(13-17-12-14)20-10-4-7-15-6-3-9-19-15/h11-13,15,18H,2-4,6-10H2
InChIKeySTKPYMAEFWAPIA-UHFFFAOYSA-N
XLogP2.15
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-[2-(oxolan-2-yl)ethoxy]pyridine
CID 65160795
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
3-(4-chlorobut-1-ynyl)-5-(2-fluoroethoxy)pyridine
CID 80694312
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114675226
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
5-[[(2R)-oxolan-2-yl]methoxy]pyridin-3-amine
CID 124569752
1-[5-[2-(oxolan-2-yl)ethoxy]-3-pyridinyl]piperidin-3-amine
CID 65165890
N-(2,2-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 79870832
4-[3-(oxolan-2-ylmethylsulfanylmethyl)phenyl]but-3-yn-1-ol
CID 106495405

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol?
The IUPAC name of 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol (CID 65164827) is 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol is OCCC#Cc1cncc(OCCCC2CCCO2)c1.
What is the InChIKey of 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol?
The InChIKey is STKPYMAEFWAPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-8-2-1-5-14-11-16(13-17-12-14)20-10-4-7-15-6-3-9-19-15/h11-13,15,18H,2-4,6-10H2.
What are the key properties of 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol?
4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(oxolan-2-yl)propoxy]-3-pyridinyl]but-3-yn-1-ol is sourced from PubChem (CID 65164827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).