4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol

C14H8BrClN2O2 — CID 70477859

IUPAC4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol
SMILESOc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1Cl
InChIInChI=1S/C14H8BrClN2O2/c15-8-1-3-11-12(5-8)18-14(7-17-11)20-9-2-4-13(19)10(16)6-9/h1-7,19H
InChIKeyHQXOOUHBGCLLAE-UHFFFAOYSA-N
MW351.59 g/mol
LogP4.54
Rot. Bonds2

About 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol

4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol (PubChem CID 70477859) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol.

Molecular Properties

Compound Name4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol
PubChem CID70477859
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol
SMILESOc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1Cl
InChIInChI=1S/C14H8BrClN2O2/c15-8-1-3-11-12(5-8)18-14(7-17-11)20-9-2-4-13(19)10(16)6-9/h1-7,19H
InChIKeyHQXOOUHBGCLLAE-UHFFFAOYSA-N
XLogP4.54
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol?
The IUPAC name of 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol (CID 70477859) is 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol.
What is the SMILES notation for 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol?
The canonical SMILES for 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol is Oc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1Cl.
What is the InChIKey of 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol?
The InChIKey is HQXOOUHBGCLLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-8-1-3-11-12(5-8)18-14(7-17-11)20-9-2-4-13(19)10(16)6-9/h1-7,19H.
What are the key properties of 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol?
4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol has a molecular weight of 351.59 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol is sourced from PubChem (CID 70477859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).