2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol

C21H19NO — CID 72942537

IUPAC2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol
SMILESOC1c2ccccc2CC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19NO/c23-21-19-14-8-7-11-17(19)15-20(16-9-3-1-4-10-16)22(21)18-12-5-2-6-13-18/h1-14,20-21,23H,15H2
InChIKeyZNRZBHZOPFFKMC-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.48
Rot. Bonds2

About 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol

2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol (PubChem CID 72942537) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol.

Molecular Properties

Compound Name2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol
PubChem CID72942537
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol
SMILESOC1c2ccccc2CC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19NO/c23-21-19-14-8-7-11-17(19)15-20(16-9-3-1-4-10-16)22(21)18-12-5-2-6-13-18/h1-14,20-21,23H,15H2
InChIKeyZNRZBHZOPFFKMC-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,9R)-12-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 46904866
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
(2S,5R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1,5-diphenylpyrrolidine
CID 102174726
(6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
CID 70416585
4-(2-phenyl-3,4-dihydro-2H-quinolin-1-yl)phenol
CID 21398511
(9S,10R)-11-phenyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diol
CID 170674153
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
CID 101124325
(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 155511171
(2R,6R)-4-methoxy-1,2,6-triphenyl-3,6-dihydro-2H-pyridine
CID 135016172

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol?
The IUPAC name of 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol (CID 72942537) is 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol.
What is the SMILES notation for 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol?
The canonical SMILES for 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol is OC1c2ccccc2CC(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol?
The InChIKey is ZNRZBHZOPFFKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-21-19-14-8-7-11-17(19)15-20(16-9-3-1-4-10-16)22(21)18-12-5-2-6-13-18/h1-14,20-21,23H,15H2.
What are the key properties of 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol?
2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol has a molecular weight of 301.39 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-3,4-dihydro-1H-isoquinolin-1-ol is sourced from PubChem (CID 72942537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).