4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol

C18H16N2O2 — CID 139631822

IUPAC4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol
SMILESCc1cc(-c2cnc(-c3ccc(O)c(C)c3)cn2)ccc1O
InChIInChI=1S/C18H16N2O2/c1-11-7-13(3-5-17(11)21)15-9-20-16(10-19-15)14-4-6-18(22)12(2)8-14/h3-10,21-22H,1-2H3
InChIKeyHWJKTYZGIGCKKD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.84
Rot. Bonds2

About 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol

4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol (PubChem CID 139631822) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol
PubChem CID139631822
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol
SMILESCc1cc(-c2cnc(-c3ccc(O)c(C)c3)cn2)ccc1O
InChIInChI=1S/C18H16N2O2/c1-11-7-13(3-5-17(11)21)15-9-20-16(10-19-15)14-4-6-18(22)12(2)8-14/h3-10,21-22H,1-2H3
InChIKeyHWJKTYZGIGCKKD-UHFFFAOYSA-N
XLogP3.84
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-methyl-2-pyridinyl)phenol
CID 136929186
4-(2,4-diaminopteridin-7-yl)-2-methylphenol
CID 142881366
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
2-methyl-4-(4-methyl-3-pyridinyl)phenol
CID 83130962
2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 150395203
4-(2-hydrazinyl-1,3-thiazol-4-yl)-2-methylphenol
CID 7172164
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
4-imidazo[1,2-a]pyrazin-3-yl-2-methylphenol
CID 162633964
4-(1,4-dimethylpyrazol-3-yl)-2-methylphenol
CID 136970221
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol?
The IUPAC name of 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol (CID 139631822) is 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol?
The canonical SMILES for 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol is Cc1cc(-c2cnc(-c3ccc(O)c(C)c3)cn2)ccc1O.
What is the InChIKey of 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol?
The InChIKey is HWJKTYZGIGCKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-7-13(3-5-17(11)21)15-9-20-16(10-19-15)14-4-6-18(22)12(2)8-14/h3-10,21-22H,1-2H3.
What are the key properties of 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol?
4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol has a molecular weight of 292.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol is sourced from PubChem (CID 139631822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).