1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone

C23H21NO — CID 102390710

IUPAC1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2c3ccccc3CCN2c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-17(25)18-11-13-20(14-12-18)23-22-10-6-5-7-19(22)15-16-24(23)21-8-3-2-4-9-21/h2-14,23H,15-16H2,1H3
InChIKeyGPYHFXJQANPCAH-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.04
Rot. Bonds3

About 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone

1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone (PubChem CID 102390710) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
PubChem CID102390710
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2c3ccccc3CCN2c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-17(25)18-11-13-20(14-12-18)23-22-10-6-5-7-19(22)15-16-24(23)21-8-3-2-4-9-21/h2-14,23H,15-16H2,1H3
InChIKeyGPYHFXJQANPCAH-UHFFFAOYSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone 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

1-[4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]ethanone
CID 57224737
methyl 3-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1H-indole-6-carboxylate
CID 138974121
1-[4-(1-phenylpiperazin-2-yl)phenyl]ethanone
CID 175135237
1-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 102390709
2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 69474792
1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 21266277
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 92953927
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
ethane;1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propane-1,2-dione
CID 170615705
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone (CID 102390710) is 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone is CC(=O)c1ccc(C2c3ccccc3CCN2c2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone?
The InChIKey is GPYHFXJQANPCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-17(25)18-11-13-20(14-12-18)23-22-10-6-5-7-19(22)15-16-24(23)21-8-3-2-4-9-21/h2-14,23H,15-16H2,1H3.
What are the key properties of 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone?
1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone is sourced from PubChem (CID 102390710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).