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

C18H16BrNO — CID 81197449

IUPAC1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(C)(O)c3ccccc3Br)ccc2n1
InChIInChI=1S/C18H16BrNO/c1-12-7-8-13-11-14(9-10-17(13)20-12)18(2,21)15-5-3-4-6-16(15)19/h3-11,21H,1-2H3
InChIKeyAUQPECCBBIFNIX-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.56
Rot. Bonds2

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

1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol (PubChem CID 81197449) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
PubChem CID81197449
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(C)(O)c3ccccc3Br)ccc2n1
InChIInChI=1S/C18H16BrNO/c1-12-7-8-13-11-14(9-10-17(13)20-12)18(2,21)15-5-3-4-6-16(15)19/h3-11,21H,1-2H3
InChIKeyAUQPECCBBIFNIX-UHFFFAOYSA-N
XLogP4.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol (CID 81197449) is 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol is Cc1ccc2cc(C(C)(O)c3ccccc3Br)ccc2n1.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
The InChIKey is AUQPECCBBIFNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-12-7-8-13-11-14(9-10-17(13)20-12)18(2,21)15-5-3-4-6-16(15)19/h3-11,21H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol?
1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol has a molecular weight of 342.24 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol is sourced from PubChem (CID 81197449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).