2-isoquinolin-6-ylpropan-2-ol

C12H13NO — CID 117280841

IUPAC2-isoquinolin-6-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2cnccc2c1
InChIInChI=1S/C12H13NO/c1-12(2,14)11-4-3-10-8-13-6-5-9(10)7-11/h3-8,14H,1-2H3
InChIKeyMYDARDUVPIQNEW-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.46
Rot. Bonds1

About 2-isoquinolin-6-ylpropan-2-ol

2-isoquinolin-6-ylpropan-2-ol (PubChem CID 117280841) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-isoquinolin-6-ylpropan-2-ol.

Molecular Properties

Compound Name2-isoquinolin-6-ylpropan-2-ol
PubChem CID117280841
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-isoquinolin-6-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2cnccc2c1
InChIInChI=1S/C12H13NO/c1-12(2,14)11-4-3-10-8-13-6-5-9(10)7-11/h3-8,14H,1-2H3
InChIKeyMYDARDUVPIQNEW-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(3,5-dimethylphenyl)propan-2-yl]isoquinoline
CID 174233418
ethane;6-methylisoquinoline
CID 145106291
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
2-(5-methylpyrido[4,3-b]indol-8-yl)propan-2-ol
CID 116985992
ethane;isoquinolin-6-amine
CID 143931414
S-isoquinolin-6-yl ethanethioate
CID 86187053
6-naphthalen-2-ylisoquinoline
CID 59724414
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
3,8-phenanthroline
CID 13064691
2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol
CID 141437267
isoquinolin-6-yl methyl carbonate
CID 22364569
isoquinoline-6-carboxamide;hydrochloride
CID 143697890

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-6-ylpropan-2-ol?
The IUPAC name of 2-isoquinolin-6-ylpropan-2-ol (CID 117280841) is 2-isoquinolin-6-ylpropan-2-ol.
What is the SMILES notation for 2-isoquinolin-6-ylpropan-2-ol?
The canonical SMILES for 2-isoquinolin-6-ylpropan-2-ol is CC(C)(O)c1ccc2cnccc2c1.
What is the InChIKey of 2-isoquinolin-6-ylpropan-2-ol?
The InChIKey is MYDARDUVPIQNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-12(2,14)11-4-3-10-8-13-6-5-9(10)7-11/h3-8,14H,1-2H3.
What are the key properties of 2-isoquinolin-6-ylpropan-2-ol?
2-isoquinolin-6-ylpropan-2-ol has a molecular weight of 187.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-6-ylpropan-2-ol is sourced from PubChem (CID 117280841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).