1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol

C21H24N2O2 — CID 159551529

IUPAC1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol
SMILESCN1C=C(CO)c2ccccc2C1.OCC1=CNCc2ccccc21
InChIInChI=1S/C11H13NO.C10H11NO/c1-12-6-9-4-2-3-5-11(9)10(7-12)8-13;12-7-9-6-11-5-8-3-1-2-4-10(8)9/h2-5,7,13H,6,8H2,1H3;1-4,6,11-12H,5,7H2
InChIKeyMFLKGPLHGFRRHF-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.59
Rot. Bonds2

About 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol

1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol (PubChem CID 159551529) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol.

Molecular Properties

Compound Name1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol
PubChem CID159551529
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol
SMILESCN1C=C(CO)c2ccccc2C1.OCC1=CNCc2ccccc21
InChIInChI=1S/C11H13NO.C10H11NO/c1-12-6-9-4-2-3-5-11(9)10(7-12)8-13;12-7-9-6-11-5-8-3-1-2-4-10(8)9/h2-5,7,13H,6,8H2,1H3;1-4,6,11-12H,5,7H2
InChIKeyMFLKGPLHGFRRHF-UHFFFAOYSA-N
XLogP2.59
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(imidazol-1-ylmethyl)-2-methyl-1H-isoquinoline
CID 90989031
2-chloro-1-(2-methyl-1H-isoquinolin-4-yl)ethanone
CID 121002743
N-methyl-1,2-dihydroisoquinolin-4-amine
CID 166944414
acetic acid;3H-inden-1-ylmethanol
CID 71363289
5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
CID 110923925
[2-(2-methyl-1H-isoquinolin-4-yl)phenyl] N,N-dimethylcarbamate
CID 11948479
4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline
CID 146534951
4-cyclohexyl-1,2-dihydroisoquinoline
CID 134913525
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
CID 52862501
2-ethyl-4-phenyl-1H-isoquinoline
CID 101006091
5-methyl-6H-phenanthridin-3-ol
CID 21303886
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol?
The IUPAC name of 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol (CID 159551529) is 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol.
What is the SMILES notation for 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol?
The canonical SMILES for 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol is CN1C=C(CO)c2ccccc2C1.OCC1=CNCc2ccccc21.
What is the InChIKey of 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol?
The InChIKey is MFLKGPLHGFRRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C10H11NO/c1-12-6-9-4-2-3-5-11(9)10(7-12)8-13;12-7-9-6-11-5-8-3-1-2-4-10(8)9/h2-5,7,13H,6,8H2,1H3;1-4,6,11-12H,5,7H2.
What are the key properties of 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol?
1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol has a molecular weight of 336.44 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroisoquinolin-4-ylmethanol;(2-methyl-1H-isoquinolin-4-yl)methanol is sourced from PubChem (CID 159551529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).