[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol

C12H19NO3 — CID 106448445

IUPAC[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
SMILESCC(C)COCCOc1cccc(CO)n1
InChIInChI=1S/C12H19NO3/c1-10(2)9-15-6-7-16-12-5-3-4-11(8-14)13-12/h3-5,10,14H,6-9H2,1-2H3
InChIKeyJYVRHPKSMGWZJC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.63
Rot. Bonds7

About [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol

[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol (PubChem CID 106448445) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
PubChem CID106448445
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
SMILESCC(C)COCCOc1cccc(CO)n1
InChIInChI=1S/C12H19NO3/c1-10(2)9-15-6-7-16-12-5-3-4-11(8-14)13-12/h3-5,10,14H,6-9H2,1-2H3
InChIKeyJYVRHPKSMGWZJC-UHFFFAOYSA-N
XLogP1.63
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.63
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

[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564147
2-[[6-(hydroxymethyl)-2-pyridinyl]oxy]ethanol
CID 62240901
[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
CID 66234998
[6-(2-phenylethoxy)-2-pyridinyl]methanol
CID 115000798
[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol
CID 106448453
[6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methanol
CID 62239546
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
CID 106451393
N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103347430
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
CID 106446681
[6-(cyclopropylmethoxy)-2-pyridinyl]methanol
CID 62240903
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 106447502
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol?
The IUPAC name of [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol (CID 106448445) is [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol?
The canonical SMILES for [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol is CC(C)COCCOc1cccc(CO)n1.
What is the InChIKey of [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol?
The InChIKey is JYVRHPKSMGWZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(2)9-15-6-7-16-12-5-3-4-11(8-14)13-12/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol?
[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 106448445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).