4-(3-phenylquinoxalin-2-yl)phenol

C20H14N2O — CID 830753

IUPAC4-(3-phenylquinoxalin-2-yl)phenol
SMILESOc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C20H14N2O/c23-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)21-17-8-4-5-9-18(17)22-20/h1-13,23H
InChIKeyQWWRLMGCJPKOGF-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.67
Rot. Bonds2

About 4-(3-phenylquinoxalin-2-yl)phenol

4-(3-phenylquinoxalin-2-yl)phenol (PubChem CID 830753) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(3-phenylquinoxalin-2-yl)phenol.

Molecular Properties

Compound Name4-(3-phenylquinoxalin-2-yl)phenol
PubChem CID830753
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name4-(3-phenylquinoxalin-2-yl)phenol
SMILESOc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C20H14N2O/c23-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)21-17-8-4-5-9-18(17)22-20/h1-13,23H
InChIKeyQWWRLMGCJPKOGF-UHFFFAOYSA-N
XLogP4.67
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylquinoxalin-2-yl)phenol?
The IUPAC name of 4-(3-phenylquinoxalin-2-yl)phenol (CID 830753) is 4-(3-phenylquinoxalin-2-yl)phenol.
What is the SMILES notation for 4-(3-phenylquinoxalin-2-yl)phenol?
The canonical SMILES for 4-(3-phenylquinoxalin-2-yl)phenol is Oc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(3-phenylquinoxalin-2-yl)phenol?
The InChIKey is QWWRLMGCJPKOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)21-17-8-4-5-9-18(17)22-20/h1-13,23H.
What are the key properties of 4-(3-phenylquinoxalin-2-yl)phenol?
4-(3-phenylquinoxalin-2-yl)phenol has a molecular weight of 298.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylquinoxalin-2-yl)phenol is sourced from PubChem (CID 830753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).