3-(8-chloroquinoxalin-2-yl)phenol

C14H9ClN2O — CID 67363410

IUPAC3-(8-chloroquinoxalin-2-yl)phenol
SMILESOc1cccc(-c2cnc3cccc(Cl)c3n2)c1
InChIInChI=1S/C14H9ClN2O/c15-11-5-2-6-12-14(11)17-13(8-16-12)9-3-1-4-10(18)7-9/h1-8,18H
InChIKeyXINHZMJUXFKYIT-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.66
Rot. Bonds1

About 3-(8-chloroquinoxalin-2-yl)phenol

3-(8-chloroquinoxalin-2-yl)phenol (PubChem CID 67363410) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-(8-chloroquinoxalin-2-yl)phenol.

Molecular Properties

Compound Name3-(8-chloroquinoxalin-2-yl)phenol
PubChem CID67363410
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name3-(8-chloroquinoxalin-2-yl)phenol
SMILESOc1cccc(-c2cnc3cccc(Cl)c3n2)c1
InChIInChI=1S/C14H9ClN2O/c15-11-5-2-6-12-14(11)17-13(8-16-12)9-3-1-4-10(18)7-9/h1-8,18H
InChIKeyXINHZMJUXFKYIT-UHFFFAOYSA-N
XLogP3.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroquinoxalin-2-yl)phenol?
The IUPAC name of 3-(8-chloroquinoxalin-2-yl)phenol (CID 67363410) is 3-(8-chloroquinoxalin-2-yl)phenol.
What is the SMILES notation for 3-(8-chloroquinoxalin-2-yl)phenol?
The canonical SMILES for 3-(8-chloroquinoxalin-2-yl)phenol is Oc1cccc(-c2cnc3cccc(Cl)c3n2)c1.
What is the InChIKey of 3-(8-chloroquinoxalin-2-yl)phenol?
The InChIKey is XINHZMJUXFKYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-11-5-2-6-12-14(11)17-13(8-16-12)9-3-1-4-10(18)7-9/h1-8,18H.
What are the key properties of 3-(8-chloroquinoxalin-2-yl)phenol?
3-(8-chloroquinoxalin-2-yl)phenol has a molecular weight of 256.69 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroquinoxalin-2-yl)phenol is sourced from PubChem (CID 67363410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).