[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol

C13H21NO3 — CID 106448453

IUPAC[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(OCCOCC(C)C)n1
InChIInChI=1S/C13H21NO3/c1-10(2)9-16-4-5-17-13-7-12(8-15)6-11(3)14-13/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyNPAAEMACDYHCCF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.93
Rot. Bonds7

About [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol

[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol (PubChem CID 106448453) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol
PubChem CID106448453
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(OCCOCC(C)C)n1
InChIInChI=1S/C13H21NO3/c1-10(2)9-16-4-5-17-13-7-12(8-15)6-11(3)14-13/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyNPAAEMACDYHCCF-UHFFFAOYSA-N
XLogP1.93
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.93
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

N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 106449501
[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
CID 106448445
[2-(difluoromethoxy)-6-methyl-4-pyridinyl]methanol
CID 133056724
N-[[2-methyl-6-(2-methylpropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 113379479
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol
CID 102722592
1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
CID 106458424
4,6-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carbothioamide
CID 106447664
[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
CID 106453726
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 106447502
2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451224
N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106451304
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
CID 106446681

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol?
The IUPAC name of [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol (CID 106448453) is [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol.
What is the SMILES notation for [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol?
The canonical SMILES for [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol is Cc1cc(CO)cc(OCCOCC(C)C)n1.
What is the InChIKey of [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol?
The InChIKey is NPAAEMACDYHCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(2)9-16-4-5-17-13-7-12(8-15)6-11(3)14-13/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol?
[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol has a molecular weight of 239.31 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol is sourced from PubChem (CID 106448453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).