2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol

C17H19NO2 — CID 91665585

IUPAC2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2cc(OCc3ccccc3)ccc2C(O)C1
InChIInChI=1S/C17H19NO2/c1-18-10-14-9-15(7-8-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h2-9,17,19H,10-12H2,1H3
InChIKeyGGJMRALUYPYUGN-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol

2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 91665585) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID91665585
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2cc(OCc3ccccc3)ccc2C(O)C1
InChIInChI=1S/C17H19NO2/c1-18-10-14-9-15(7-8-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h2-9,17,19H,10-12H2,1H3
InChIKeyGGJMRALUYPYUGN-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 166626926
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
3-(3-phenoxypropyl)-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 52949731
N-benzyl-2-(5-hydroxy-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanamide
CID 90765663
1-hydroxy-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19841196
2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 138554110
1-(4-fluorophenyl)-4-(5-hydroxy-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butan-1-one
CID 52942926
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
(4R)-6-[2-(dimethylamino)ethoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 166627614
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 91665585) is 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2cc(OCc3ccccc3)ccc2C(O)C1.
What is the InChIKey of 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is GGJMRALUYPYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-10-14-9-15(7-8-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h2-9,17,19H,10-12H2,1H3.
What are the key properties of 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 269.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 91665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).