(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

C10H11Cl2NO — CID 14027811

IUPAC(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESOCC1Cc2ccc(Cl)c(Cl)c2CN1
InChIInChI=1S/C10H11Cl2NO/c11-9-2-1-6-3-7(5-14)13-4-8(6)10(9)12/h1-2,7,13-14H,3-5H2
InChIKeyBYNFMAOUMAKLOM-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.00
Rot. Bonds1

About (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (PubChem CID 14027811) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
PubChem CID14027811
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESOCC1Cc2ccc(Cl)c(Cl)c2CN1
InChIInChI=1S/C10H11Cl2NO/c11-9-2-1-6-3-7(5-14)13-4-8(6)10(9)12/h1-2,7,13-14H,3-5H2
InChIKeyBYNFMAOUMAKLOM-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The IUPAC name of (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (CID 14027811) is (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.
What is the SMILES notation for (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The canonical SMILES for (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is OCC1Cc2ccc(Cl)c(Cl)c2CN1.
What is the InChIKey of (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The InChIKey is BYNFMAOUMAKLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-9-2-1-6-3-7(5-14)13-4-8(6)10(9)12/h1-2,7,13-14H,3-5H2.
What are the key properties of (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol has a molecular weight of 232.11 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is sourced from PubChem (CID 14027811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).