(3-ethoxyphenyl)-quinoxalin-5-ylmethanol

C17H16N2O2 — CID 105119584

IUPAC(3-ethoxyphenyl)-quinoxalin-5-ylmethanol
SMILESCCOc1cccc(C(O)c2cccc3nccnc23)c1
InChIInChI=1S/C17H16N2O2/c1-2-21-13-6-3-5-12(11-13)17(20)14-7-4-8-15-16(14)19-10-9-18-15/h3-11,17,20H,2H2,1H3
InChIKeyRZJJVXFEQIVJDT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds4

About (3-ethoxyphenyl)-quinoxalin-5-ylmethanol

(3-ethoxyphenyl)-quinoxalin-5-ylmethanol (PubChem CID 105119584) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3-ethoxyphenyl)-quinoxalin-5-ylmethanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-quinoxalin-5-ylmethanol
PubChem CID105119584
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(3-ethoxyphenyl)-quinoxalin-5-ylmethanol
SMILESCCOc1cccc(C(O)c2cccc3nccnc23)c1
InChIInChI=1S/C17H16N2O2/c1-2-21-13-6-3-5-12(11-13)17(20)14-7-4-8-15-16(14)19-10-9-18-15/h3-11,17,20H,2H2,1H3
InChIKeyRZJJVXFEQIVJDT-UHFFFAOYSA-N
XLogP3.11
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-pyrazin-2-ylmethanol
CID 63969423
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(3-ethoxyphenyl)-quinolin-3-ylmethanol
CID 60924190
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(4-chlorophenyl)-quinoxalin-5-ylmethanol
CID 105120341
(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
CID 62802337
quinoxalin-5-yl(thiophen-3-yl)methanol
CID 105102725
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(3-ethoxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115827523
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-quinoxalin-5-ylmethanol?
The IUPAC name of (3-ethoxyphenyl)-quinoxalin-5-ylmethanol (CID 105119584) is (3-ethoxyphenyl)-quinoxalin-5-ylmethanol.
What is the SMILES notation for (3-ethoxyphenyl)-quinoxalin-5-ylmethanol?
The canonical SMILES for (3-ethoxyphenyl)-quinoxalin-5-ylmethanol is CCOc1cccc(C(O)c2cccc3nccnc23)c1.
What is the InChIKey of (3-ethoxyphenyl)-quinoxalin-5-ylmethanol?
The InChIKey is RZJJVXFEQIVJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-13-6-3-5-12(11-13)17(20)14-7-4-8-15-16(14)19-10-9-18-15/h3-11,17,20H,2H2,1H3.
What are the key properties of (3-ethoxyphenyl)-quinoxalin-5-ylmethanol?
(3-ethoxyphenyl)-quinoxalin-5-ylmethanol has a molecular weight of 280.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-quinoxalin-5-ylmethanol is sourced from PubChem (CID 105119584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).