4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol

C20H13ClN2O — CID 135955016

IUPAC4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccc3nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H13ClN2O/c21-15-5-3-4-14(12-15)20-19(13-8-10-16(24)11-9-13)22-17-6-1-2-7-18(17)23-20/h1-12,24H
InChIKeyXIMZZBZKGPTCBA-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.32
Rot. Bonds2

About 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol

4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol (PubChem CID 135955016) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol
PubChem CID135955016
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccc3nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H13ClN2O/c21-15-5-3-4-14(12-15)20-19(13-8-10-16(24)11-9-13)22-17-6-1-2-7-18(17)23-20/h1-12,24H
InChIKeyXIMZZBZKGPTCBA-UHFFFAOYSA-N
XLogP5.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol?
The IUPAC name of 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol (CID 135955016) is 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol.
What is the SMILES notation for 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol?
The canonical SMILES for 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol is Oc1ccc(-c2nc3ccccc3nc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol?
The InChIKey is XIMZZBZKGPTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-15-5-3-4-14(12-15)20-19(13-8-10-16(24)11-9-13)22-17-6-1-2-7-18(17)23-20/h1-12,24H.
What are the key properties of 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol?
4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol has a molecular weight of 332.79 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)quinoxalin-2-yl]phenol is sourced from PubChem (CID 135955016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).