1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol

C21H19NO — CID 18172400

IUPAC1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C21H19NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-12,15,21,23H,13-14H2
InChIKeyBCVXRPDYMYWNQG-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.54
Rot. Bonds2

About 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol

1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 18172400) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID18172400
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C21H19NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-12,15,21,23H,13-14H2
InChIKeyBCVXRPDYMYWNQG-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 18172400) is 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is BCVXRPDYMYWNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-12,15,21,23H,13-14H2.
What are the key properties of 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol?
1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 301.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 18172400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).