1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol

C13H15NO2 — CID 105123131

IUPAC1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccoc2)c(C)n1
InChIInChI=1S/C13H15NO2/c1-9-3-4-12(10(2)14-9)13(15)7-11-5-6-16-8-11/h3-6,8,13,15H,7H2,1-2H3
InChIKeyUUFPFLQKLNEFPJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.57
Rot. Bonds3

About 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol

1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol (PubChem CID 105123131) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol
PubChem CID105123131
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccoc2)c(C)n1
InChIInChI=1S/C13H15NO2/c1-9-3-4-12(10(2)14-9)13(15)7-11-5-6-16-8-11/h3-6,8,13,15H,7H2,1-2H3
InChIKeyUUFPFLQKLNEFPJ-UHFFFAOYSA-N
XLogP2.57
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol (CID 105123131) is 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol is Cc1ccc(C(O)Cc2ccoc2)c(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol?
The InChIKey is UUFPFLQKLNEFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-3-4-12(10(2)14-9)13(15)7-11-5-6-16-8-11/h3-6,8,13,15H,7H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol?
1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol has a molecular weight of 217.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 105123131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).