[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol

C13H14N2O4 — CID 107744185

IUPAC[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1cncc(CO)n1
InChIInChI=1S/C13H14N2O4/c1-18-12-4-9(7-16)2-3-11(12)19-13-6-14-5-10(8-17)15-13/h2-6,16-17H,7-8H2,1H3
InChIKeyWQGPAJTZOODDCG-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.26
Rot. Bonds5

About [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol

[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol (PubChem CID 107744185) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
PubChem CID107744185
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1cncc(CO)n1
InChIInChI=1S/C13H14N2O4/c1-18-12-4-9(7-16)2-3-11(12)19-13-6-14-5-10(8-17)15-13/h2-6,16-17H,7-8H2,1H3
InChIKeyWQGPAJTZOODDCG-UHFFFAOYSA-N
XLogP1.26
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
CID 107668249
[3-methoxy-4-[6-(propylamino)pyrazin-2-yl]oxyphenyl]methanol
CID 107745067
[4-(5,6-dimethylpyrazin-2-yl)oxy-3-methoxyphenyl]methanol
CID 107744072
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768
(3-methoxy-4-pyridin-2-yloxyphenyl)methanol
CID 103610323
[4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxyphenyl]methanol
CID 107745044
[6-(2-propoxyphenoxy)pyrazin-2-yl]methanol
CID 66467765
[6-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 66468669
[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol
CID 107743997
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-methylpyridine-4-carboxamide
CID 107743933
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552

Frequently Asked Questions

What is the IUPAC name of [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
The IUPAC name of [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol (CID 107744185) is [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol is COc1cc(CO)ccc1Oc1cncc(CO)n1.
What is the InChIKey of [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
The InChIKey is WQGPAJTZOODDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-12-4-9(7-16)2-3-11(12)19-13-6-14-5-10(8-17)15-13/h2-6,16-17H,7-8H2,1H3.
What are the key properties of [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol?
[4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol has a molecular weight of 262.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(hydroxymethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol is sourced from PubChem (CID 107744185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).