2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol

C20H14N2O2 — CID 135489107

IUPAC2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccccc2nc1-c1ccccc1O
InChIInChI=1S/C20H14N2O2/c23-17-11-5-1-7-13(17)19-20(14-8-2-6-12-18(14)24)22-16-10-4-3-9-15(16)21-19/h1-12,23-24H
InChIKeyKWHRMGWGMJZQAM-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.38
Rot. Bonds2

About 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol

2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol (PubChem CID 135489107) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol
PubChem CID135489107
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccccc2nc1-c1ccccc1O
InChIInChI=1S/C20H14N2O2/c23-17-11-5-1-7-13(17)19-20(14-8-2-6-12-18(14)24)22-16-10-4-3-9-15(16)21-19/h1-12,23-24H
InChIKeyKWHRMGWGMJZQAM-UHFFFAOYSA-N
XLogP4.38
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_66_E(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol?
The IUPAC name of 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol (CID 135489107) is 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol is Oc1ccccc1-c1nc2ccccc2nc1-c1ccccc1O.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol?
The InChIKey is KWHRMGWGMJZQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-17-11-5-1-7-13(17)19-20(14-8-2-6-12-18(14)24)22-16-10-4-3-9-15(16)21-19/h1-12,23-24H.
What are the key properties of 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol?
2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol has a molecular weight of 314.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)quinoxalin-2-yl]phenol is sourced from PubChem (CID 135489107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).