(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol

C17H14BrNO — CID 115795023

IUPAC(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(Br)c(C(O)c2cccc3cnccc23)c1
InChIInChI=1S/C17H14BrNO/c1-11-5-6-16(18)15(9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10,17,20H,1H3
InChIKeyNXOGSLZMIVBTJT-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.39
Rot. Bonds2

About (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol

(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol (PubChem CID 115795023) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
PubChem CID115795023
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(Br)c(C(O)c2cccc3cnccc23)c1
InChIInChI=1S/C17H14BrNO/c1-11-5-6-16(18)15(9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10,17,20H,1H3
InChIKeyNXOGSLZMIVBTJT-UHFFFAOYSA-N
XLogP4.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(2-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817855
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103139035
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol (CID 115795023) is (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol is Cc1ccc(Br)c(C(O)c2cccc3cnccc23)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol?
The InChIKey is NXOGSLZMIVBTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-11-5-6-16(18)15(9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10,17,20H,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol?
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol has a molecular weight of 328.21 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 115795023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).