4-(7-chloro-3-phenylquinoxalin-2-yl)phenol

C20H13ClN2O — CID 136805911

IUPAC4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(Cl)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C20H13ClN2O/c21-15-8-11-17-18(12-15)23-20(14-6-9-16(24)10-7-14)19(22-17)13-4-2-1-3-5-13/h1-12,24H
InChIKeyLHQTYFVOOKDTCD-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.32
Rot. Bonds2

About 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol

4-(7-chloro-3-phenylquinoxalin-2-yl)phenol (PubChem CID 136805911) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol.

Molecular Properties

Compound Name4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
PubChem CID136805911
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
SMILESOc1ccc(-c2nc3cc(Cl)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C20H13ClN2O/c21-15-8-11-17-18(12-15)23-20(14-6-9-16(24)10-7-14)19(22-17)13-4-2-1-3-5-13/h1-12,24H
InChIKeyLHQTYFVOOKDTCD-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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Related Compounds

6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557
(6-chloro-3-phenylquinoxalin-2-yl)hydrazine
CID 141464003
4-[6-amino-3-(4-hydroxyphenyl)quinoxalin-2-yl]phenol;dihydrochloride
CID 135610078
4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride
CID 135591135
2,3-diphenylquinolin-6-ol
CID 53381619
2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline
CID 123994326
2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729474
6-iodo-2-(4-methylphenyl)-3-phenylquinoxaline
CID 70894334
6-fluoro-2,3-diphenylquinoxaline
CID 3700648

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol?
The IUPAC name of 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol (CID 136805911) is 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol.
What is the SMILES notation for 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol?
The canonical SMILES for 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol is Oc1ccc(-c2nc3cc(Cl)ccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol?
The InChIKey is LHQTYFVOOKDTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-15-8-11-17-18(12-15)23-20(14-6-9-16(24)10-7-14)19(22-17)13-4-2-1-3-5-13/h1-12,24H.
What are the key properties of 4-(7-chloro-3-phenylquinoxalin-2-yl)phenol?
4-(7-chloro-3-phenylquinoxalin-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-(7-chloro-3-phenylquinoxalin-2-yl)phenol is sourced from PubChem (CID 136805911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).