[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol

C12H19NO3 — CID 105067216

IUPAC[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
SMILESCC(C)(C)OCCOc1cnccc1CO
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-7-6-15-11-8-13-5-4-10(11)9-14/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyWTFPFJIQRRFZLC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.77
Rot. Bonds5

About [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol

[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol (PubChem CID 105067216) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
PubChem CID105067216
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
SMILESCC(C)(C)OCCOc1cnccc1CO
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-7-6-15-11-8-13-5-4-10(11)9-14/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyWTFPFJIQRRFZLC-UHFFFAOYSA-N
XLogP1.77
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.77
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

[3-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 105067127
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol
CID 105067211
(3-but-3-enoxy-4-pyridinyl)methanol
CID 105067106
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 136925054
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 112587792
[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590012
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
[3-(cyclopentylmethoxy)-4-pyridinyl]methanol
CID 105067194
[4-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanol
CID 81237043
2-[3-(methoxymethoxy)-4-pyridinyl]ethanol
CID 68725947

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol?
The IUPAC name of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol (CID 105067216) is [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol?
The canonical SMILES for [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol is CC(C)(C)OCCOc1cnccc1CO.
What is the InChIKey of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol?
The InChIKey is WTFPFJIQRRFZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,3)16-7-6-15-11-8-13-5-4-10(11)9-14/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol?
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol is sourced from PubChem (CID 105067216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).