[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol

C12H19NO3 — CID 106666377

IUPAC[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
SMILESCOC(C)(C)CCOc1ccncc1CO
InChIInChI=1S/C12H19NO3/c1-12(2,15-3)5-7-16-11-4-6-13-8-10(11)9-14/h4,6,8,14H,5,7,9H2,1-3H3
InChIKeyZNTOWWSWKWXTOV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.77
Rot. Bonds6

About [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol

[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol (PubChem CID 106666377) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
PubChem CID106666377
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
SMILESCOC(C)(C)CCOc1ccncc1CO
InChIInChI=1S/C12H19NO3/c1-12(2,15-3)5-7-16-11-4-6-13-8-10(11)9-14/h4,6,8,14H,5,7,9H2,1-3H3
InChIKeyZNTOWWSWKWXTOV-UHFFFAOYSA-N
XLogP1.77
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 106667450
[4-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanol
CID 81237043
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
[3-fluoro-2-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanol
CID 106666373
N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667621
[3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 103034160
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
CID 105067216
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methanol
CID 81238136
2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
CID 102975066
3-(4-methoxy-4-methylpentyl)pyridin-4-amine
CID 103037376

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol (CID 106666377) is [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol is COC(C)(C)CCOc1ccncc1CO.
What is the InChIKey of [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol?
The InChIKey is ZNTOWWSWKWXTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,15-3)5-7-16-11-4-6-13-8-10(11)9-14/h4,6,8,14H,5,7,9H2,1-3H3.
What are the key properties of [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol?
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 106666377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).