3-(6-bromo-4-phenylquinolin-2-yl)phenol

C21H14BrNO — CID 71945945

IUPAC3-(6-bromo-4-phenylquinolin-2-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C21H14BrNO/c22-16-9-10-20-19(12-16)18(14-5-2-1-3-6-14)13-21(23-20)15-7-4-8-17(24)11-15/h1-13,24H
InChIKeyACXPHVXSZYKYLI-UHFFFAOYSA-N
MW376.25 g/mol
LogP6.04
Rot. Bonds2

About 3-(6-bromo-4-phenylquinolin-2-yl)phenol

3-(6-bromo-4-phenylquinolin-2-yl)phenol (PubChem CID 71945945) has the molecular formula C21H14BrNO and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-(6-bromo-4-phenylquinolin-2-yl)phenol.

Molecular Properties

Compound Name3-(6-bromo-4-phenylquinolin-2-yl)phenol
PubChem CID71945945
Molecular FormulaC21H14BrNO
Molecular Weight376.25 g/mol
Exact Mass375.03
IUPAC Name3-(6-bromo-4-phenylquinolin-2-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C21H14BrNO/c22-16-9-10-20-19(12-16)18(14-5-2-1-3-6-14)13-21(23-20)15-7-4-8-17(24)11-15/h1-13,24H
InChIKeyACXPHVXSZYKYLI-UHFFFAOYSA-N
XLogP6.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.25
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-phenylquinolin-2-yl)phenol?
The IUPAC name of 3-(6-bromo-4-phenylquinolin-2-yl)phenol (CID 71945945) is 3-(6-bromo-4-phenylquinolin-2-yl)phenol.
What is the SMILES notation for 3-(6-bromo-4-phenylquinolin-2-yl)phenol?
The canonical SMILES for 3-(6-bromo-4-phenylquinolin-2-yl)phenol is Oc1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 3-(6-bromo-4-phenylquinolin-2-yl)phenol?
The InChIKey is ACXPHVXSZYKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO/c22-16-9-10-20-19(12-16)18(14-5-2-1-3-6-14)13-21(23-20)15-7-4-8-17(24)11-15/h1-13,24H.
What are the key properties of 3-(6-bromo-4-phenylquinolin-2-yl)phenol?
3-(6-bromo-4-phenylquinolin-2-yl)phenol has a molecular weight of 376.25 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-phenylquinolin-2-yl)phenol is sourced from PubChem (CID 71945945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).