2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol

C11H17NO2 — CID 115374188

IUPAC2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
SMILESCOC(C)(C)C(O)c1cncc(C)c1
InChIInChI=1S/C11H17NO2/c1-8-5-9(7-12-6-8)10(13)11(2,3)14-4/h5-7,10,13H,1-4H3
InChIKeyNKZRRYSQQXHONX-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.85
Rot. Bonds3

About 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol

2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol (PubChem CID 115374188) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
PubChem CID115374188
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
SMILESCOC(C)(C)C(O)c1cncc(C)c1
InChIInChI=1S/C11H17NO2/c1-8-5-9(7-12-6-8)10(13)11(2,3)14-4/h5-7,10,13H,1-4H3
InChIKeyNKZRRYSQQXHONX-UHFFFAOYSA-N
XLogP1.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374166
2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
CID 116713058
2-methyl-1-(5-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-ol
CID 115374168
2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
CID 115374174
2-methyl-N-[1-(5-methyl-3-pyridinyl)ethyl]propan-2-amine
CID 130660349
2-methyl-1-(5-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-ol
CID 115374171
2-methyl-1-(5-methyl-3-pyridinyl)prop-2-en-1-ol
CID 105110452
(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 116710441
(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
CID 115373622
hydroxy-(5-methyl-3-pyridinyl)methanesulfonic acid
CID 119081791
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
CID 116751826

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol (CID 115374188) is 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol is COC(C)(C)C(O)c1cncc(C)c1.
What is the InChIKey of 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is NKZRRYSQQXHONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-5-9(7-12-6-8)10(13)11(2,3)14-4/h5-7,10,13H,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol?
2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 115374188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).