2-(2-bromophenyl)-1-quinolin-7-ylethanol

C17H14BrNO — CID 81220436

IUPAC2-(2-bromophenyl)-1-quinolin-7-ylethanol
SMILESOC(Cc1ccccc1Br)c1ccc2cccnc2c1
InChIInChI=1S/C17H14BrNO/c18-15-6-2-1-4-13(15)11-17(20)14-8-7-12-5-3-9-19-16(12)10-14/h1-10,17,20H,11H2
InChIKeyOYCWOCCHQLGGEW-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.27
Rot. Bonds3

About 2-(2-bromophenyl)-1-quinolin-7-ylethanol

2-(2-bromophenyl)-1-quinolin-7-ylethanol (PubChem CID 81220436) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-quinolin-7-ylethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-quinolin-7-ylethanol
PubChem CID81220436
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name2-(2-bromophenyl)-1-quinolin-7-ylethanol
SMILESOC(Cc1ccccc1Br)c1ccc2cccnc2c1
InChIInChI=1S/C17H14BrNO/c18-15-6-2-1-4-13(15)11-17(20)14-8-7-12-5-3-9-19-16(12)10-14/h1-10,17,20H,11H2
InChIKeyOYCWOCCHQLGGEW-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
2-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanol
CID 81210498
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
CID 60798582
3-amino-1-quinolin-7-ylpropan-1-ol
CID 84670752
(1S)-1-quinolin-7-ylnonan-1-ol
CID 15658090
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(2-bromo-6-fluorophenyl)-quinolin-7-ylmethanol
CID 114885774
3-(4-methylphenyl)-1-quinolin-7-ylpropan-1-ol
CID 105118985
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
2-(2-methylpropylamino)-1-quinolin-7-ylethanol
CID 81221212
2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 63895535
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-quinolin-7-ylethanol?
The IUPAC name of 2-(2-bromophenyl)-1-quinolin-7-ylethanol (CID 81220436) is 2-(2-bromophenyl)-1-quinolin-7-ylethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-quinolin-7-ylethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-quinolin-7-ylethanol is OC(Cc1ccccc1Br)c1ccc2cccnc2c1.
What is the InChIKey of 2-(2-bromophenyl)-1-quinolin-7-ylethanol?
The InChIKey is OYCWOCCHQLGGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-15-6-2-1-4-13(15)11-17(20)14-8-7-12-5-3-9-19-16(12)10-14/h1-10,17,20H,11H2.
What are the key properties of 2-(2-bromophenyl)-1-quinolin-7-ylethanol?
2-(2-bromophenyl)-1-quinolin-7-ylethanol has a molecular weight of 328.21 g/mol, XLogP of 4.27, 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-quinolin-7-ylethanol is sourced from PubChem (CID 81220436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).