(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol

C17H14BrNO — CID 103139157

IUPAC(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
SMILESCc1ccc(C(O)c2cccc3ccncc23)cc1Br
InChIInChI=1S/C17H14BrNO/c1-11-5-6-13(9-16(11)18)17(20)14-4-2-3-12-7-8-19-10-15(12)14/h2-10,17,20H,1H3
InChIKeyYKPMPFFTTGTHQH-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.39
Rot. Bonds2

About (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol

(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol (PubChem CID 103139157) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
PubChem CID103139157
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
SMILESCc1ccc(C(O)c2cccc3ccncc23)cc1Br
InChIInChI=1S/C17H14BrNO/c1-11-5-6-13(9-16(11)18)17(20)14-4-2-3-12-7-8-19-10-15(12)14/h2-10,17,20H,1H3
InChIKeyYKPMPFFTTGTHQH-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

(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103139035
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol (CID 103139157) is (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol is Cc1ccc(C(O)c2cccc3ccncc23)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol?
The InChIKey is YKPMPFFTTGTHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-11-5-6-13(9-16(11)18)17(20)14-4-2-3-12-7-8-19-10-15(12)14/h2-10,17,20H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol?
(3-bromo-4-methylphenyl)-isoquinolin-8-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 (3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103139157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).