1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol

C16H20N2O — CID 585937

IUPAC1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2nc(C)c(C)nc2C)cc1
InChIInChI=1S/C16H20N2O/c1-10-5-7-14(8-6-10)16(19)9-15-13(4)17-11(2)12(3)18-15/h5-8,16,19H,9H2,1-4H3
InChIKeyWCRBUAFOVAUQGI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol

1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol (PubChem CID 585937) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
PubChem CID585937
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2nc(C)c(C)nc2C)cc1
InChIInChI=1S/C16H20N2O/c1-10-5-7-14(8-6-10)16(19)9-15-13(4)17-11(2)12(3)18-15/h5-8,16,19H,9H2,1-4H3
InChIKeyWCRBUAFOVAUQGI-UHFFFAOYSA-N
XLogP2.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol (CID 585937) is 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol is Cc1ccc(C(O)Cc2nc(C)c(C)nc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
The InChIKey is WCRBUAFOVAUQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-5-7-14(8-6-10)16(19)9-15-13(4)17-11(2)12(3)18-15/h5-8,16,19H,9H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol?
1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol has a molecular weight of 256.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol is sourced from PubChem (CID 585937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).