(1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol

C11H17NO2 — CID 56838534

IUPAC(1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol
SMILESCOc1cc(C)nc([C@@H](O)C(C)C)c1
InChIInChI=1S/C11H17NO2/c1-7(2)11(13)10-6-9(14-4)5-8(3)12-10/h5-7,11,13H,1-4H3/t11-/m0/s1
InChIKeyNOKYXKXACRZIMC-NSHDSACASA-N
MW195.26 g/mol
LogP2.09
Rot. Bonds3

About (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol

(1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol (PubChem CID 56838534) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol
PubChem CID56838534
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol
SMILESCOc1cc(C)nc([C@@H](O)C(C)C)c1
InChIInChI=1S/C11H17NO2/c1-7(2)11(13)10-6-9(14-4)5-8(3)12-10/h5-7,11,13H,1-4H3/t11-/m0/s1
InChIKeyNOKYXKXACRZIMC-NSHDSACASA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol (CID 56838534) is (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol is COc1cc(C)nc([C@@H](O)C(C)C)c1.
What is the InChIKey of (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is NOKYXKXACRZIMC-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)11(13)10-6-9(14-4)5-8(3)12-10/h5-7,11,13H,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol?
(1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-6-methyl-2-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 56838534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).