1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol

C21H18FNO — CID 3024714

IUPAC1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(F)cc1
InChIInChI=1S/C21H18FNO/c22-17-8-6-15(7-9-17)21-20-11-10-19(24)14-16(20)12-13-23(21)18-4-2-1-3-5-18/h1-11,14,21,24H,12-13H2
InChIKeyAGADFQNWGUDFRP-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.68
Rot. Bonds2

About 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol

1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 3024714) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID3024714
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(F)cc1
InChIInChI=1S/C21H18FNO/c22-17-8-6-15(7-9-17)21-20-11-10-19(24)14-16(20)12-13-23(21)18-4-2-1-3-5-18/h1-11,14,21,24H,12-13H2
InChIKeyAGADFQNWGUDFRP-UHFFFAOYSA-N
XLogP4.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 3024714) is 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is AGADFQNWGUDFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c22-17-8-6-15(7-9-17)21-20-11-10-19(24)14-16(20)12-13-23(21)18-4-2-1-3-5-18/h1-11,14,21,24H,12-13H2.
What are the key properties of 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 319.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 3024714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).