2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol

C13H19NO2 — CID 103170200

IUPAC2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
SMILESCCOc1cncc(C(O)CC2CCC2)c1
InChIInChI=1S/C13H19NO2/c1-2-16-12-7-11(8-14-9-12)13(15)6-10-4-3-5-10/h7-10,13,15H,2-6H2,1H3
InChIKeyJIOGTKRISMLVPE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.70
Rot. Bonds5

About 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol

2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol (PubChem CID 103170200) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
PubChem CID103170200
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
SMILESCCOc1cncc(C(O)CC2CCC2)c1
InChIInChI=1S/C13H19NO2/c1-2-16-12-7-11(8-14-9-12)13(15)6-10-4-3-5-10/h7-10,13,15H,2-6H2,1H3
InChIKeyJIOGTKRISMLVPE-UHFFFAOYSA-N
XLogP2.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine
CID 105026358
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115373791
3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
CID 115829399
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190527
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol (CID 103170200) is 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol is CCOc1cncc(C(O)CC2CCC2)c1.
What is the InChIKey of 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol?
The InChIKey is JIOGTKRISMLVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-12-7-11(8-14-9-12)13(15)6-10-4-3-5-10/h7-10,13,15H,2-6H2,1H3.
What are the key properties of 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol?
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 103170200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).