2-(8-ethylcinnolin-4-yl)ethanol

C12H14N2O — CID 91665561

IUPAC2-(8-ethylcinnolin-4-yl)ethanol
SMILESCCc1cccc2c(CCO)cnnc12
InChIInChI=1S/C12H14N2O/c1-2-9-4-3-5-11-10(6-7-15)8-13-14-12(9)11/h3-5,8,15H,2,6-7H2,1H3
InChIKeyNSTSNPHFKADUAW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds3

About 2-(8-ethylcinnolin-4-yl)ethanol

2-(8-ethylcinnolin-4-yl)ethanol (PubChem CID 91665561) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(8-ethylcinnolin-4-yl)ethanol.

Molecular Properties

Compound Name2-(8-ethylcinnolin-4-yl)ethanol
PubChem CID91665561
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(8-ethylcinnolin-4-yl)ethanol
SMILESCCc1cccc2c(CCO)cnnc12
InChIInChI=1S/C12H14N2O/c1-2-9-4-3-5-11-10(6-7-15)8-13-14-12(9)11/h3-5,8,15H,2,6-7H2,1H3
InChIKeyNSTSNPHFKADUAW-UHFFFAOYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-ethylcinnolin-4-yl)ethanol?
The IUPAC name of 2-(8-ethylcinnolin-4-yl)ethanol (CID 91665561) is 2-(8-ethylcinnolin-4-yl)ethanol.
What is the SMILES notation for 2-(8-ethylcinnolin-4-yl)ethanol?
The canonical SMILES for 2-(8-ethylcinnolin-4-yl)ethanol is CCc1cccc2c(CCO)cnnc12.
What is the InChIKey of 2-(8-ethylcinnolin-4-yl)ethanol?
The InChIKey is NSTSNPHFKADUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-9-4-3-5-11-10(6-7-15)8-13-14-12(9)11/h3-5,8,15H,2,6-7H2,1H3.
What are the key properties of 2-(8-ethylcinnolin-4-yl)ethanol?
2-(8-ethylcinnolin-4-yl)ethanol has a molecular weight of 202.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethylcinnolin-4-yl)ethanol is sourced from PubChem (CID 91665561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).