[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol

C16H20N2O2 — CID 107373044

IUPAC[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1ccc(C(C)(C)C)c(Oc2cnc(CO)cn2)c1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-13(16(2,3)4)14(7-11)20-15-9-17-12(10-19)8-18-15/h5-9,19H,10H2,1-4H3
InChIKeyYRNIHVBMMJNEMB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.37
Rot. Bonds3

About [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol

[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol (PubChem CID 107373044) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
PubChem CID107373044
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1ccc(C(C)(C)C)c(Oc2cnc(CO)cn2)c1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-13(16(2,3)4)14(7-11)20-15-9-17-12(10-19)8-18-15/h5-9,19H,10H2,1-4H3
InChIKeyYRNIHVBMMJNEMB-UHFFFAOYSA-N
XLogP3.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol (CID 107373044) is [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol is Cc1ccc(C(C)(C)C)c(Oc2cnc(CO)cn2)c1.
What is the InChIKey of [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol?
The InChIKey is YRNIHVBMMJNEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-6-13(16(2,3)4)14(7-11)20-15-9-17-12(10-19)8-18-15/h5-9,19H,10H2,1-4H3.
What are the key properties of [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol?
[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).