[2-(2-propoxyethoxy)-3-pyridinyl]methanol

C11H17NO3 — CID 63684391

IUPAC[2-(2-propoxyethoxy)-3-pyridinyl]methanol
SMILESCCCOCCOc1ncccc1CO
InChIInChI=1S/C11H17NO3/c1-2-6-14-7-8-15-11-10(9-13)4-3-5-12-11/h3-5,13H,2,6-9H2,1H3
InChIKeyJCZJWBTUEHJHLA-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.38
Rot. Bonds7

About [2-(2-propoxyethoxy)-3-pyridinyl]methanol

[2-(2-propoxyethoxy)-3-pyridinyl]methanol (PubChem CID 63684391) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [2-(2-propoxyethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-propoxyethoxy)-3-pyridinyl]methanol
PubChem CID63684391
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[2-(2-propoxyethoxy)-3-pyridinyl]methanol
SMILESCCCOCCOc1ncccc1CO
InChIInChI=1S/C11H17NO3/c1-2-6-14-7-8-15-11-10(9-13)4-3-5-12-11/h3-5,13H,2,6-9H2,1H3
InChIKeyJCZJWBTUEHJHLA-UHFFFAOYSA-N
XLogP1.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564183
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
[2-[2-(diethylamino)ethoxy]-3-pyridinyl]methanol
CID 61256979
[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63653116
[2-(2-ethylphenoxy)-3-pyridinyl]methanol
CID 61257757
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[[2-(2-ethoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291566
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825

Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyethoxy)-3-pyridinyl]methanol?
The IUPAC name of [2-(2-propoxyethoxy)-3-pyridinyl]methanol (CID 63684391) is [2-(2-propoxyethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2-propoxyethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2-propoxyethoxy)-3-pyridinyl]methanol is CCCOCCOc1ncccc1CO.
What is the InChIKey of [2-(2-propoxyethoxy)-3-pyridinyl]methanol?
The InChIKey is JCZJWBTUEHJHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-6-14-7-8-15-11-10(9-13)4-3-5-12-11/h3-5,13H,2,6-9H2,1H3.
What are the key properties of [2-(2-propoxyethoxy)-3-pyridinyl]methanol?
[2-(2-propoxyethoxy)-3-pyridinyl]methanol has a molecular weight of 211.26 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 63684391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).