2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol

C17H17NO — CID 13069558

IUPAC2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
SMILESOCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C17H17NO/c19-11-10-15-12-14-8-4-5-9-16(14)17(18-15)13-6-2-1-3-7-13/h1-9,15,19H,10-12H2
InChIKeyLZXDJBDWIORDQF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.83
Rot. Bonds3

About 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol

2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol (PubChem CID 13069558) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
PubChem CID13069558
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
SMILESOCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C17H17NO/c19-11-10-15-12-14-8-4-5-9-16(14)17(18-15)13-6-2-1-3-7-13/h1-9,15,19H,10-12H2
InChIKeyLZXDJBDWIORDQF-UHFFFAOYSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
CID 208995
2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
3-(Hydroxymethyl)-3,4-di-hydroisoquinoline
CID 18663695
[6-(4-Fluorophenyl)-3,4-dihydroisoquinolin-1-yl]methanol
CID 164004263
1-Fluoro-3,4-dihydroisoquinolin-3-ol
CID 174972148
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
CID 12712295
1-(alpha-Hydroxybenzyl)-3,4-dihydroisoquinoline
CID 129761855
1-Phenyl-2-azaspiro[4.5]dec-1-en-3-ol
CID 132819998
1-(4-Methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961414
1-(2,5-Dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961416
(2S)-2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 92203051
(2R)-2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 92203052

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
The IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol (CID 13069558) is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol.
What is the SMILES notation for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
The canonical SMILES for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol is OCCC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
The InChIKey is LZXDJBDWIORDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-11-10-15-12-14-8-4-5-9-16(14)17(18-15)13-6-2-1-3-7-13/h1-9,15,19H,10-12H2.
What are the key properties of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol is sourced from PubChem (CID 13069558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).