(3-ethoxyphenyl)-pyrazin-2-ylmethanol

C13H14N2O2 — CID 63969423

IUPAC(3-ethoxyphenyl)-pyrazin-2-ylmethanol
SMILESCCOc1cccc(C(O)c2cnccn2)c1
InChIInChI=1S/C13H14N2O2/c1-2-17-11-5-3-4-10(8-11)13(16)12-9-14-6-7-15-12/h3-9,13,16H,2H2,1H3
InChIKeyLIWSWLJMEODLRO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.96
Rot. Bonds4

About (3-ethoxyphenyl)-pyrazin-2-ylmethanol

(3-ethoxyphenyl)-pyrazin-2-ylmethanol (PubChem CID 63969423) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3-ethoxyphenyl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-pyrazin-2-ylmethanol
PubChem CID63969423
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3-ethoxyphenyl)-pyrazin-2-ylmethanol
SMILESCCOc1cccc(C(O)c2cnccn2)c1
InChIInChI=1S/C13H14N2O2/c1-2-17-11-5-3-4-10(8-11)13(16)12-9-14-6-7-15-12/h3-9,13,16H,2H2,1H3
InChIKeyLIWSWLJMEODLRO-UHFFFAOYSA-N
XLogP1.96
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethoxyphenyl)-pyrazin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethoxyphenyl)-quinoxalin-5-ylmethanol
CID 105119584
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(3-ethoxyphenyl)-quinolin-3-ylmethanol
CID 60924190
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
(3-ethoxyphenyl)-(furan-3-yl)methanol
CID 63948949
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
CID 62802337
(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115827546
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-pyrazin-2-ylmethanol?
The IUPAC name of (3-ethoxyphenyl)-pyrazin-2-ylmethanol (CID 63969423) is (3-ethoxyphenyl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (3-ethoxyphenyl)-pyrazin-2-ylmethanol?
The canonical SMILES for (3-ethoxyphenyl)-pyrazin-2-ylmethanol is CCOc1cccc(C(O)c2cnccn2)c1.
What is the InChIKey of (3-ethoxyphenyl)-pyrazin-2-ylmethanol?
The InChIKey is LIWSWLJMEODLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-11-5-3-4-10(8-11)13(16)12-9-14-6-7-15-12/h3-9,13,16H,2H2,1H3.
What are the key properties of (3-ethoxyphenyl)-pyrazin-2-ylmethanol?
(3-ethoxyphenyl)-pyrazin-2-ylmethanol has a molecular weight of 230.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63969423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).