5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol

C15H12ClNO — CID 135925112

IUPAC5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol
SMILESOc1ccc(Cl)c2c1C(c1ccccc1)=NCC2
InChIInChI=1S/C15H12ClNO/c16-12-6-7-13(18)14-11(12)8-9-17-15(14)10-4-2-1-3-5-10/h1-7,18H,8-9H2
InChIKeyIZMPVCAMWDNRNN-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.44
Rot. Bonds1

About 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol

5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol (PubChem CID 135925112) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol.

Molecular Properties

Compound Name5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol
PubChem CID135925112
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol
SMILESOc1ccc(Cl)c2c1C(c1ccccc1)=NCC2
InChIInChI=1S/C15H12ClNO/c16-12-6-7-13(18)14-11(12)8-9-17-15(14)10-4-2-1-3-5-10/h1-7,18H,8-9H2
InChIKeyIZMPVCAMWDNRNN-UHFFFAOYSA-N
XLogP3.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-(3-chlorophenyl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
CID 136032582
(3R)-5-(4-chlorophenyl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
CID 136203768
4-Chloro-2-{[(2-phenylethyl)imino]methyl}phenol
CID 2304556
Fengabine
CID 54471
2-(Methylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061910
2-(Ethylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061911
2-(Propylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061912
2-(Pentylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061913
2-(Hexylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061914
2-(3-Methylbutylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061915
2-(Heptylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061916
4-Chloro-2-((2-chlorophenyl)((2-methyl-1-(1-methylethyl)propyl)imino)methyl)phenol
CID 3061917

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol?
The IUPAC name of 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol (CID 135925112) is 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol.
What is the SMILES notation for 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol?
The canonical SMILES for 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol is Oc1ccc(Cl)c2c1C(c1ccccc1)=NCC2.
What is the InChIKey of 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol?
The InChIKey is IZMPVCAMWDNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-6-7-13(18)14-11(12)8-9-17-15(14)10-4-2-1-3-5-10/h1-7,18H,8-9H2.
What are the key properties of 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol?
5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol has a molecular weight of 257.72 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenyl-3,4-dihydroisoquinolin-8-ol is sourced from PubChem (CID 135925112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).