[(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium

C15H14FNO3P+ — CID 175359914

IUPAC[(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@H]1c2ccccc2CCN1c1ccc(F)cc1
InChIInChI=1S/C15H13FNO3P/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)20-21(18)19/h1-8,15H,9-10H2/p+1/t15-/m0/s1
InChIKeyWUFTZBILUVJWTG-HNNXBMFYSA-O
MW306.25 g/mol
LogP3.55
Rot. Bonds3

About [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium

[(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium (PubChem CID 175359914) has the molecular formula C15H14FNO3P+ and a molecular weight of 306.25 g/mol. Its IUPAC name is [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium
PubChem CID175359914
Molecular FormulaC15H14FNO3P+
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name[(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@H]1c2ccccc2CCN1c1ccc(F)cc1
InChIInChI=1S/C15H13FNO3P/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)20-21(18)19/h1-8,15H,9-10H2/p+1/t15-/m0/s1
InChIKeyWUFTZBILUVJWTG-HNNXBMFYSA-O
XLogP3.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis[[(1S)-2-(4-ethylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy]-oxophosphanium
CID 175359952
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
2-chloro-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 155390479
methyl 3-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropanoate
CID 155390511
[(1S)-2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl] N-hydroxycarbamate
CID 87788534
[(1R)-2-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl] N-hydroxycarbamate
CID 87788508
2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 101474371
ethyl 1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 21266263
2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one
CID 79271501
1-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[(3R)-pyrrolidin-3-yl]propan-1-one
CID 167698452
1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium (CID 175359914) is [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium is O=[P+](O)O[C@H]1c2ccccc2CCN1c1ccc(F)cc1.
What is the InChIKey of [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium?
The InChIKey is WUFTZBILUVJWTG-HNNXBMFYSA-O. The full InChI is InChI=1S/C15H13FNO3P/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)20-21(18)19/h1-8,15H,9-10H2/p+1/t15-/m0/s1.
What are the key properties of [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium?
[(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 306.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175359914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).