(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol

C13H14N2O2 — CID 63969426

IUPAC(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
SMILESCOc1ccc(C(O)c2cnccn2)cc1C
InChIInChI=1S/C13H14N2O2/c1-9-7-10(3-4-12(9)17-2)13(16)11-8-14-5-6-15-11/h3-8,13,16H,1-2H3
InChIKeyULBODTROIYLTJQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.88
Rot. Bonds3

About (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol

(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol (PubChem CID 63969426) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
PubChem CID63969426
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
SMILESCOc1ccc(C(O)c2cnccn2)cc1C
InChIInChI=1S/C13H14N2O2/c1-9-7-10(3-4-12(9)17-2)13(16)11-8-14-5-6-15-11/h3-8,13,16H,1-2H3
InChIKeyULBODTROIYLTJQ-UHFFFAOYSA-N
XLogP1.88
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-pyrazin-2-ylmethanol
CID 63970462
(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
CID 81198121
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
(3-ethoxyphenyl)-pyrazin-2-ylmethanol
CID 63969423
(3-aminophenyl)-pyrazin-2-ylmethanol
CID 106695903
(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol
CID 115800192
isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
CID 63940924
(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782078

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol?
The IUPAC name of (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol (CID 63969426) is (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol?
The canonical SMILES for (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol is COc1ccc(C(O)c2cnccn2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol?
The InChIKey is ULBODTROIYLTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-7-10(3-4-12(9)17-2)13(16)11-8-14-5-6-15-11/h3-8,13,16H,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol?
(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol has a molecular weight of 230.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63969426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).