6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol

C11H14ClNO — CID 84678817

IUPAC6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCCC1NCCc2c1ccc(Cl)c2O
InChIInChI=1S/C11H14ClNO/c1-2-10-7-3-4-9(12)11(14)8(7)5-6-13-10/h3-4,10,13-14H,2,5-6H2,1H3
InChIKeySFMVXTUWFSRKOA-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.64
Rot. Bonds1

About 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol

6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 84678817) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID84678817
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCCC1NCCc2c1ccc(Cl)c2O
InChIInChI=1S/C11H14ClNO/c1-2-10-7-3-4-9(12)11(14)8(7)5-6-13-10/h3-4,10,13-14H,2,5-6H2,1H3
InChIKeySFMVXTUWFSRKOA-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 84678817) is 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol is CCC1NCCc2c1ccc(Cl)c2O.
What is the InChIKey of 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is SFMVXTUWFSRKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-10-7-3-4-9(12)11(14)8(7)5-6-13-10/h3-4,10,13-14H,2,5-6H2,1H3.
What are the key properties of 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 211.69 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 84678817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).