1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

C15H13Cl2NO — CID 4287883

IUPAC1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1)CCNC2c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO/c16-10-1-4-14(17)13(8-10)15-12-3-2-11(19)7-9(12)5-6-18-15/h1-4,7-8,15,18-19H,5-6H2
InChIKeyIQFNHBZTWCDYBX-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.93
Rot. Bonds1

About 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 4287883) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID4287883
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESOc1ccc2c(c1)CCNC2c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO/c16-10-1-4-14(17)13(8-10)15-12-3-2-11(19)7-9(12)5-6-18-15/h1-4,7-8,15,18-19H,5-6H2
InChIKeyIQFNHBZTWCDYBX-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 4287883) is 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is Oc1ccc2c(c1)CCNC2c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is IQFNHBZTWCDYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-10-1-4-14(17)13(8-10)15-12-3-2-11(19)7-9(12)5-6-18-15/h1-4,7-8,15,18-19H,5-6H2.
What are the key properties of 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 294.18 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 4287883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).