2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol

C10H15NO2 — CID 143482158

IUPAC2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
SMILESCC(C)(O)COCc1ccncc1
InChIInChI=1S/C10H15NO2/c1-10(2,12)8-13-7-9-3-5-11-6-4-9/h3-6,12H,7-8H2,1-2H3
InChIKeyZCXRGBJBIAHSQX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.37
Rot. Bonds4

About 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol

2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol (PubChem CID 143482158) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
PubChem CID143482158
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
SMILESCC(C)(O)COCc1ccncc1
InChIInChI=1S/C10H15NO2/c1-10(2,12)8-13-7-9-3-5-11-6-4-9/h3-6,12H,7-8H2,1-2H3
InChIKeyZCXRGBJBIAHSQX-UHFFFAOYSA-N
XLogP1.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
CID 119051213
4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
CID 59757640
2-methyl-2-(pyridin-4-ylmethoxy)propan-1-amine
CID 65053502
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
trimethyl(pyridin-4-ylmethoxy)silane
CID 45117506
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
4-(dodecoxymethyl)pyridine
CID 175554630
O-(pyridin-4-ylmethyl) ethanethioate
CID 75412608
propan-2-yl 2-(pyridin-4-ylmethoxy)acetate
CID 83213799
4-(2,2-dimethylpropyl)pyridine
CID 22960904
3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
2-[4-(pyridin-4-ylmethyl)phenyl]propan-2-ol
CID 90901602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol (CID 143482158) is 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol is CC(C)(O)COCc1ccncc1.
What is the InChIKey of 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol?
The InChIKey is ZCXRGBJBIAHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,12)8-13-7-9-3-5-11-6-4-9/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol?
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol is sourced from PubChem (CID 143482158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).