[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol

C16H11Cl2NO2 — CID 61256323

IUPAC[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol
SMILESOCc1cc2ccccc2c(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C16H11Cl2NO2/c17-11-6-12(18)8-14(7-11)21-16-15-4-2-1-3-10(15)5-13(9-20)19-16/h1-8,20H,9H2
InChIKeyCGBHDKGITHTJAH-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.83
Rot. Bonds3

About [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol

[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol (PubChem CID 61256323) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol
PubChem CID61256323
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol
SMILESOCc1cc2ccccc2c(Oc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C16H11Cl2NO2/c17-11-6-12(18)8-14(7-11)21-16-15-4-2-1-3-10(15)5-13(9-20)19-16/h1-8,20H,9H2
InChIKeyCGBHDKGITHTJAH-UHFFFAOYSA-N
XLogP4.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,5-dimethylphenoxy)isoquinolin-3-yl]methanol
CID 61255876
(1-pyridin-3-yloxyisoquinolin-3-yl)methanol
CID 61256067
[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol
CID 107170110
[1-(4-bromo-2-chlorophenoxy)isoquinolin-3-yl]methanol
CID 61255890
3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721
(1-cyclobutyloxyisoquinolin-3-yl)methanol
CID 62141040
1-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)isoquinoline
CID 81314920
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
CID 61256108
[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
CID 61254873
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoquinolin-3-yl]methanol
CID 115942389
[1-(3,5-dimethylcyclohexyl)oxyisoquinolin-3-yl]methanol
CID 64728619

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol?
The IUPAC name of [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol (CID 61256323) is [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol is OCc1cc2ccccc2c(Oc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol?
The InChIKey is CGBHDKGITHTJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-11-6-12(18)8-14(7-11)21-16-15-4-2-1-3-10(15)5-13(9-20)19-16/h1-8,20H,9H2.
What are the key properties of [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol?
[1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol has a molecular weight of 320.18 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichlorophenoxy)isoquinolin-3-yl]methanol is sourced from PubChem (CID 61256323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).