2-(3-methoxypyrazin-2-yl)-4-methylphenol

C12H12N2O2 — CID 136919797

IUPAC2-(3-methoxypyrazin-2-yl)-4-methylphenol
SMILESCOc1nccnc1-c1cc(C)ccc1O
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(15)9(7-8)11-12(16-2)14-6-5-13-11/h3-7,15H,1-2H3
InChIKeyCBOHFJRHAZPQLX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.17
Rot. Bonds2

About 2-(3-methoxypyrazin-2-yl)-4-methylphenol

2-(3-methoxypyrazin-2-yl)-4-methylphenol (PubChem CID 136919797) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-methoxypyrazin-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(3-methoxypyrazin-2-yl)-4-methylphenol
PubChem CID136919797
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(3-methoxypyrazin-2-yl)-4-methylphenol
SMILESCOc1nccnc1-c1cc(C)ccc1O
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(15)9(7-8)11-12(16-2)14-6-5-13-11/h3-7,15H,1-2H3
InChIKeyCBOHFJRHAZPQLX-UHFFFAOYSA-N
XLogP2.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-2-pyridinyl)-4-methylphenol
CID 136817093
[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine
CID 104516233
4-methyl-2-(2-methyl-4-pyridinyl)phenol
CID 136955352
2-[5-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]-4-methylphenol
CID 135547677
2-(2-amino-4-pyridinyl)-4-methylphenol
CID 136636104
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-(3-methoxypyrazin-2-yl)aniline
CID 104516148
4-chloro-3-(3-methoxypyrazin-2-yl)benzoic acid
CID 107989853
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrazin-2-yl)-4-methylphenol?
The IUPAC name of 2-(3-methoxypyrazin-2-yl)-4-methylphenol (CID 136919797) is 2-(3-methoxypyrazin-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(3-methoxypyrazin-2-yl)-4-methylphenol?
The canonical SMILES for 2-(3-methoxypyrazin-2-yl)-4-methylphenol is COc1nccnc1-c1cc(C)ccc1O.
What is the InChIKey of 2-(3-methoxypyrazin-2-yl)-4-methylphenol?
The InChIKey is CBOHFJRHAZPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-10(15)9(7-8)11-12(16-2)14-6-5-13-11/h3-7,15H,1-2H3.
What are the key properties of 2-(3-methoxypyrazin-2-yl)-4-methylphenol?
2-(3-methoxypyrazin-2-yl)-4-methylphenol has a molecular weight of 216.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrazin-2-yl)-4-methylphenol is sourced from PubChem (CID 136919797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).