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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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).