[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol

C15H18N2O2 — CID 107667536

IUPAC[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol
SMILESCCC(C)c1ccc(Oc2cnc(CO)cn2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11(2)12-4-6-14(7-5-12)19-15-9-16-13(10-18)8-17-15/h4-9,11,18H,3,10H2,1-2H3
InChIKeyOWALSHQTKQBNRW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.27
Rot. Bonds5

About [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol

[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol (PubChem CID 107667536) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol
PubChem CID107667536
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol
SMILESCCC(C)c1ccc(Oc2cnc(CO)cn2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11(2)12-4-6-14(7-5-12)19-15-9-16-13(10-18)8-17-15/h4-9,11,18H,3,10H2,1-2H3
InChIKeyOWALSHQTKQBNRW-UHFFFAOYSA-N
XLogP3.27
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-iodophenoxy)pyrazin-2-yl]methanol
CID 107373099
[5-(4-bromophenoxy)pyrazin-2-yl]methanol
CID 107373072
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
CID 107373077
(5-naphthalen-2-yloxypyrazin-2-yl)methanol
CID 107373089
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701
[5-(1-ethylpyrazol-4-yl)oxypyrazin-2-yl]methanol
CID 107373241
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
[6-(4-propan-2-ylphenoxy)pyrazin-2-yl]methanol
CID 66465264

Frequently Asked Questions

What is the IUPAC name of [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol (CID 107667536) is [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol is CCC(C)c1ccc(Oc2cnc(CO)cn2)cc1.
What is the InChIKey of [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol?
The InChIKey is OWALSHQTKQBNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11(2)12-4-6-14(7-5-12)19-15-9-16-13(10-18)8-17-15/h4-9,11,18H,3,10H2,1-2H3.
What are the key properties of [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol?
[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107667536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).