(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

C10H12ClNO — CID 83880244

IUPAC(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESOCC1Cc2ccc(Cl)cc2CN1
InChIInChI=1S/C10H12ClNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2
InChIKeyJKLWNYXPDZPHRL-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.35
Rot. Bonds1

About (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (PubChem CID 83880244) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
PubChem CID83880244
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESOCC1Cc2ccc(Cl)cc2CN1
InChIInChI=1S/C10H12ClNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2
InChIKeyJKLWNYXPDZPHRL-UHFFFAOYSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The IUPAC name of (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (CID 83880244) is (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.
What is the SMILES notation for (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The canonical SMILES for (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is OCC1Cc2ccc(Cl)cc2CN1.
What is the InChIKey of (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The InChIKey is JKLWNYXPDZPHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2.
What are the key properties of (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol has a molecular weight of 197.66 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is sourced from PubChem (CID 83880244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).