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

C21H19NO2 — CID 69474792

IUPAC2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc(N2CCc3cc(O)ccc3C2c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c23-18-8-6-17(7-9-18)22-13-12-16-14-19(24)10-11-20(16)21(22)15-4-2-1-3-5-15/h1-11,14,21,23-24H,12-13H2
InChIKeyQEOVQCULGWBZOI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.25
Rot. Bonds2

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

2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 69474792) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID69474792
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc(N2CCc3cc(O)ccc3C2c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c23-18-8-6-17(7-9-18)22-13-12-16-14-19(24)10-11-20(16)21(22)15-4-2-1-3-5-15/h1-11,14,21,23-24H,12-13H2
InChIKeyQEOVQCULGWBZOI-UHFFFAOYSA-N
XLogP4.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 69470627
(E)-3-[4-(6-hydroxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 21355690
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
(1R)-1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 92953927
1-(3-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 13467513
1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
CID 102390710
6-methoxy-2-phenyl-1-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-isoquinoline
CID 18172420
1-(2-chlorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 3024613
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007
1-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 102390709
1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 139617023

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 69474792) is 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc(N2CCc3cc(O)ccc3C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is QEOVQCULGWBZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-18-8-6-17(7-9-18)22-13-12-16-14-19(24)10-11-20(16)21(22)15-4-2-1-3-5-15/h1-11,14,21,23-24H,12-13H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 317.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 69474792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).