(2-bromophenyl)-quinolin-7-ylmethanol

C16H12BrNO — CID 81216340

IUPAC(2-bromophenyl)-quinolin-7-ylmethanol
SMILESOC(c1ccc2cccnc2c1)c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c17-14-6-2-1-5-13(14)16(19)12-8-7-11-4-3-9-18-15(11)10-12/h1-10,16,19H
InChIKeyBVCNRYJHGQGURK-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.08
Rot. Bonds2

About (2-bromophenyl)-quinolin-7-ylmethanol

(2-bromophenyl)-quinolin-7-ylmethanol (PubChem CID 81216340) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is (2-bromophenyl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(2-bromophenyl)-quinolin-7-ylmethanol
PubChem CID81216340
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name(2-bromophenyl)-quinolin-7-ylmethanol
SMILESOC(c1ccc2cccnc2c1)c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c17-14-6-2-1-5-13(14)16(19)12-8-7-11-4-3-9-18-15(11)10-12/h1-10,16,19H
InChIKeyBVCNRYJHGQGURK-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(2-bromo-6-fluorophenyl)-quinolin-7-ylmethanol
CID 114885774
(5-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 81215821
(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
CID 115827006
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
2-(2-bromophenyl)-1-quinolin-7-ylethanol
CID 81220436
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
(2-amino-3-methoxyphenyl)-quinolin-7-ylmethanol
CID 107469424
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
furan-2-yl(quinolin-7-yl)methanol
CID 81216478

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-quinolin-7-ylmethanol?
The IUPAC name of (2-bromophenyl)-quinolin-7-ylmethanol (CID 81216340) is (2-bromophenyl)-quinolin-7-ylmethanol.
What is the SMILES notation for (2-bromophenyl)-quinolin-7-ylmethanol?
The canonical SMILES for (2-bromophenyl)-quinolin-7-ylmethanol is OC(c1ccc2cccnc2c1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-quinolin-7-ylmethanol?
The InChIKey is BVCNRYJHGQGURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-6-2-1-5-13(14)16(19)12-8-7-11-4-3-9-18-15(11)10-12/h1-10,16,19H.
What are the key properties of (2-bromophenyl)-quinolin-7-ylmethanol?
(2-bromophenyl)-quinolin-7-ylmethanol has a molecular weight of 314.18 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-quinolin-7-ylmethanol is sourced from PubChem (CID 81216340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).