3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one

C11H10N2O3 — CID 114571100

IUPAC3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Oc1ccc(CO)cc1
InChIInChI=1S/C11H10N2O3/c14-7-8-1-3-9(4-2-8)16-11-10(15)12-5-6-13-11/h1-6,14H,7H2,(H,12,15)
InChIKeySEMMSSOKLBVXFG-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.05
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one

3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one (PubChem CID 114571100) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one
PubChem CID114571100
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Oc1ccc(CO)cc1
InChIInChI=1S/C11H10N2O3/c14-7-8-1-3-9(4-2-8)16-11-10(15)12-5-6-13-11/h1-6,14H,7H2,(H,12,15)
InChIKeySEMMSSOKLBVXFG-UHFFFAOYSA-N
XLogP1.05
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenoxy)-1H-pyrazin-2-one
CID 103241140
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
CID 103240950
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol
CID 62683655
[4-[(3-methoxy-2-pyridinyl)oxy]phenyl]methanol
CID 113371155
3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one
CID 103241451
3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
CID 114570741
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841
3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one (CID 114571100) is 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one is O=c1[nH]ccnc1Oc1ccc(CO)cc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one?
The InChIKey is SEMMSSOKLBVXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-7-8-1-3-9(4-2-8)16-11-10(15)12-5-6-13-11/h1-6,14H,7H2,(H,12,15).
What are the key properties of 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one?
3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one has a molecular weight of 218.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one is sourced from PubChem (CID 114571100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).