(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol

C16H17NO — CID 71497499

IUPAC(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
SMILESCN1Cc2c(O)cccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO/c1-17-10-14(12-6-3-2-4-7-12)13-8-5-9-16(18)15(13)11-17/h2-9,14,18H,10-11H2,1H3/t14-/m1/s1
InChIKeyAUOGWJKRNSZLMZ-CQSZACIVSA-N
MW239.32 g/mol
LogP2.97
Rot. Bonds1

About (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol

(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol (PubChem CID 71497499) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol.

Molecular Properties

Compound Name(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
PubChem CID71497499
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
SMILESCN1Cc2c(O)cccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO/c1-17-10-14(12-6-3-2-4-7-12)13-8-5-9-16(18)15(13)11-17/h2-9,14,18H,10-11H2,1H3/t14-/m1/s1
InChIKeyAUOGWJKRNSZLMZ-CQSZACIVSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 10037871
2-methyl-8-nitro-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 14571110
3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
CID 20531690
2-chloroethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate
CID 3029033
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
3,4,5-trihydroxy-6-[(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]oxane-2-carboxylic acid
CID 171114977
8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
CID 68999624
(Z)-but-2-enedioic acid;4-phenyl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 71751155
(4R)-1-methyl-4-phenylpyrrolidin-3-imine
CID 163427854
3-(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfinic acid
CID 123272031
(Z)-but-2-enedioic acid;1-butyl-3-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)urea
CID 24847489

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol?
The IUPAC name of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol (CID 71497499) is (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol.
What is the SMILES notation for (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol?
The canonical SMILES for (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol is CN1Cc2c(O)cccc2[C@@H](c2ccccc2)C1.
What is the InChIKey of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol?
The InChIKey is AUOGWJKRNSZLMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-10-14(12-6-3-2-4-7-12)13-8-5-9-16(18)15(13)11-17/h2-9,14,18H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol?
(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol has a molecular weight of 239.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 71497499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).