1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol

C14H23NO2 — CID 62606138

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
SMILESCOc1c(C)cnc(CC(O)C(C)(C)C)c1C
InChIInChI=1S/C14H23NO2/c1-9-8-15-11(10(2)13(9)17-6)7-12(16)14(3,4)5/h8,12,16H,7H2,1-6H3
InChIKeyZHTVCMGUUBQXLS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol (PubChem CID 62606138) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
PubChem CID62606138
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
SMILESCOc1c(C)cnc(CC(O)C(C)(C)C)c1C
InChIInChI=1S/C14H23NO2/c1-9-8-15-11(10(2)13(9)17-6)7-12(16)14(3,4)5/h8,12,16H,7H2,1-6H3
InChIKeyZHTVCMGUUBQXLS-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol (CID 62606138) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol is COc1c(C)cnc(CC(O)C(C)(C)C)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The InChIKey is ZHTVCMGUUBQXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-8-15-11(10(2)13(9)17-6)7-12(16)14(3,4)5/h8,12,16H,7H2,1-6H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 62606138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).