2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol

C18H16BrNO — CID 81210498

IUPAC2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(O)Cc3ccccc3Br)ccc2n1
InChIInChI=1S/C18H16BrNO/c1-12-6-7-14-10-15(8-9-17(14)20-12)18(21)11-13-4-2-3-5-16(13)19/h2-10,18,21H,11H2,1H3
InChIKeyIGAAXCOIMVGTTR-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.58
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol

2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol (PubChem CID 81210498) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
PubChem CID81210498
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(O)Cc3ccccc3Br)ccc2n1
InChIInChI=1S/C18H16BrNO/c1-12-6-7-14-10-15(8-9-17(14)20-12)18(21)11-13-4-2-3-5-16(13)19/h2-10,18,21H,11H2,1H3
InChIKeyIGAAXCOIMVGTTR-UHFFFAOYSA-N
XLogP4.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol (CID 81210498) is 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol is Cc1ccc2cc(C(O)Cc3ccccc3Br)ccc2n1.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
The InChIKey is IGAAXCOIMVGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-12-6-7-14-10-15(8-9-17(14)20-12)18(21)11-13-4-2-3-5-16(13)19/h2-10,18,21H,11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol has a molecular weight of 342.24 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol is sourced from PubChem (CID 81210498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).