(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol

C16H11BrClNO — CID 81215844

IUPAC(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
SMILESOC(c1cc(Cl)ccc1Br)c1cccc2cccnc12
InChIInChI=1S/C16H11BrClNO/c17-14-7-6-11(18)9-13(14)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H
InChIKeyYOFUZVCLPGUQME-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.73
Rot. Bonds2

About (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol

(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol (PubChem CID 81215844) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
PubChem CID81215844
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
SMILESOC(c1cc(Cl)ccc1Br)c1cccc2cccnc12
InChIInChI=1S/C16H11BrClNO/c17-14-7-6-11(18)9-13(14)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H
InChIKeyYOFUZVCLPGUQME-UHFFFAOYSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol
CID 79742263
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971
(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162
[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 107997224
(3-chloro-4-pyridinyl)-quinolin-8-ylmethanol
CID 105118816
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
8-(dichloromethyl)quinoline
CID 19989328
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 114724178
(5-bromoquinolin-8-yl)-(2,3-difluorophenyl)methanol
CID 115959915

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol?
The IUPAC name of (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol (CID 81215844) is (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol?
The canonical SMILES for (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol is OC(c1cc(Cl)ccc1Br)c1cccc2cccnc12.
What is the InChIKey of (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol?
The InChIKey is YOFUZVCLPGUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-14-7-6-11(18)9-13(14)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H.
What are the key properties of (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol?
(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol has a molecular weight of 348.63 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol is sourced from PubChem (CID 81215844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).