3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone

C19H21NO2 — CID 46914727

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3ccccc3C2)ccc1O
InChIInChI=1S/C19H21NO2/c1-13(2)17-11-15(7-8-18(17)21)19(22)20-10-9-14-5-3-4-6-16(14)12-20/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyVMHRONMVQTZRED-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone (PubChem CID 46914727) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
PubChem CID46914727
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cc(C(=O)N2CCc3ccccc3C2)ccc1O
InChIInChI=1S/C19H21NO2/c1-13(2)17-11-15(7-8-18(17)21)19(22)20-10-9-14-5-3-4-6-16(14)12-20/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyVMHRONMVQTZRED-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone 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 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone (CID 46914727) is 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone is CC(C)c1cc(C(=O)N2CCc3ccccc3C2)ccc1O.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
The InChIKey is VMHRONMVQTZRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)17-11-15(7-8-18(17)21)19(22)20-10-9-14-5-3-4-6-16(14)12-20/h3-8,11,13,21H,9-10,12H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(4-hydroxy-3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 46914727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).