[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol

C12H19NO2 — CID 66234998

IUPAC[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
SMILESCC(C)(C)CCOc1cccc(CO)n1
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-8-15-11-6-4-5-10(9-14)13-11/h4-6,14H,7-9H2,1-3H3
InChIKeyPATSFBSZSMHFNS-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.39
Rot. Bonds4

About [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol

[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol (PubChem CID 66234998) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
PubChem CID66234998
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
SMILESCC(C)(C)CCOc1cccc(CO)n1
InChIInChI=1S/C12H19NO2/c1-12(2,3)7-8-15-11-6-4-5-10(9-14)13-11/h4-6,14H,7-9H2,1-3H3
InChIKeyPATSFBSZSMHFNS-UHFFFAOYSA-N
XLogP2.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol (CID 66234998) is [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol is CC(C)(C)CCOc1cccc(CO)n1.
What is the InChIKey of [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol?
The InChIKey is PATSFBSZSMHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)7-8-15-11-6-4-5-10(9-14)13-11/h4-6,14H,7-9H2,1-3H3.
What are the key properties of [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol?
[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol has a molecular weight of 209.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 66234998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).