[4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol

C15H23NO3 — CID 118549723

IUPAC[4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol
SMILESCC1(C)CC(Oc2ccnc(CO)c2)CC(C)(C)O1
InChIInChI=1S/C15H23NO3/c1-14(2)8-13(9-15(3,4)19-14)18-12-5-6-16-11(7-12)10-17/h5-7,13,17H,8-10H2,1-4H3
InChIKeyYJLQBWRLGAHIQI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds3

About [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol

[4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol (PubChem CID 118549723) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol
PubChem CID118549723
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol
SMILESCC1(C)CC(Oc2ccnc(CO)c2)CC(C)(C)O1
InChIInChI=1S/C15H23NO3/c1-14(2)8-13(9-15(3,4)19-14)18-12-5-6-16-11(7-12)10-17/h5-7,13,17H,8-10H2,1-4H3
InChIKeyYJLQBWRLGAHIQI-UHFFFAOYSA-N
XLogP2.69
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol?
The IUPAC name of [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol (CID 118549723) is [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol.
What is the SMILES notation for [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol?
The canonical SMILES for [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol is CC1(C)CC(Oc2ccnc(CO)c2)CC(C)(C)O1.
What is the InChIKey of [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol?
The InChIKey is YJLQBWRLGAHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-14(2)8-13(9-15(3,4)19-14)18-12-5-6-16-11(7-12)10-17/h5-7,13,17H,8-10H2,1-4H3.
What are the key properties of [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol?
[4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol has a molecular weight of 265.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,6,6-tetramethyloxan-4-yl)oxy-2-pyridinyl]methanol is sourced from PubChem (CID 118549723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).