(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol

C17H19NO2 — CID 166626926

IUPAC(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccccc3)cc2[C@@H](O)C1
InChIInChI=1S/C17H19NO2/c1-18-10-14-7-8-15(9-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h2-9,17,19H,10-12H2,1H3/t17-/m0/s1
InChIKeyCAPGDKFPWNIDLE-KRWDZBQOSA-N
MW269.34 g/mol
LogP2.74
Rot. Bonds3

About (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166626926) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166626926
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCc3ccccc3)cc2[C@@H](O)C1
InChIInChI=1S/C17H19NO2/c1-18-10-14-7-8-15(9-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h2-9,17,19H,10-12H2,1H3/t17-/m0/s1
InChIKeyCAPGDKFPWNIDLE-KRWDZBQOSA-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

Analyze (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Related Compounds

2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450193
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
3-(3-phenoxypropyl)-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 52949731
(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544336
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
(4R)-2-methyl-6-[3-(4-nitroimidazol-1-yl)propoxy]-3,4-dihydro-1H-isoquinolin-4-ol
CID 166632882
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
6-methoxy-2-(2-sulfanylethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 144821041
(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
CID 15437709

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 166626926) is (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCc3ccccc3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is CAPGDKFPWNIDLE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-10-14-7-8-15(9-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h2-9,17,19H,10-12H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-methyl-6-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 (4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166626926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).