(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol

C17H14BrNO2 — CID 103139035

IUPAC(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
SMILESCOc1ccc(Br)c(C(O)c2cccc3ccncc23)c1
InChIInChI=1S/C17H14BrNO2/c1-21-12-5-6-16(18)14(9-12)17(20)13-4-2-3-11-7-8-19-10-15(11)13/h2-10,17,20H,1H3
InChIKeyPUVFRGBHXIMYQX-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.09
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol

(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol (PubChem CID 103139035) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
PubChem CID103139035
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
SMILESCOc1ccc(Br)c(C(O)c2cccc3ccncc23)c1
InChIInChI=1S/C17H14BrNO2/c1-21-12-5-6-16(18)14(9-12)17(20)13-4-2-3-11-7-8-19-10-15(11)13/h2-10,17,20H,1H3
InChIKeyPUVFRGBHXIMYQX-UHFFFAOYSA-N
XLogP4.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
CID 105141322
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(2,5-dimethoxyphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66272656

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol (CID 103139035) is (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol is COc1ccc(Br)c(C(O)c2cccc3ccncc23)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol?
The InChIKey is PUVFRGBHXIMYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-21-12-5-6-16(18)14(9-12)17(20)13-4-2-3-11-7-8-19-10-15(11)13/h2-10,17,20H,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol?
(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol has a molecular weight of 344.21 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103139035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).