2-(3,4-dihydroisoquinolin-5-yl)ethanol

C11H13NO — CID 142198132

IUPAC2-(3,4-dihydroisoquinolin-5-yl)ethanol
SMILESOCCc1cccc2c1CCN=C2
InChIInChI=1S/C11H13NO/c13-7-5-9-2-1-3-10-8-12-6-4-11(9)10/h1-3,8,13H,4-7H2
InChIKeyALFMUJDUBXJOCX-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.20
Rot. Bonds2

About 2-(3,4-dihydroisoquinolin-5-yl)ethanol

2-(3,4-dihydroisoquinolin-5-yl)ethanol (PubChem CID 142198132) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(3,4-dihydroisoquinolin-5-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydroisoquinolin-5-yl)ethanol
PubChem CID142198132
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(3,4-dihydroisoquinolin-5-yl)ethanol
SMILESOCCc1cccc2c1CCN=C2
InChIInChI=1S/C11H13NO/c13-7-5-9-2-1-3-10-8-12-6-4-11(9)10/h1-3,8,13H,4-7H2
InChIKeyALFMUJDUBXJOCX-UHFFFAOYSA-N
XLogP1.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroisoquinolin-5-yl)ethanol?
The IUPAC name of 2-(3,4-dihydroisoquinolin-5-yl)ethanol (CID 142198132) is 2-(3,4-dihydroisoquinolin-5-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydroisoquinolin-5-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydroisoquinolin-5-yl)ethanol is OCCc1cccc2c1CCN=C2.
What is the InChIKey of 2-(3,4-dihydroisoquinolin-5-yl)ethanol?
The InChIKey is ALFMUJDUBXJOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-7-5-9-2-1-3-10-8-12-6-4-11(9)10/h1-3,8,13H,4-7H2.
What are the key properties of 2-(3,4-dihydroisoquinolin-5-yl)ethanol?
2-(3,4-dihydroisoquinolin-5-yl)ethanol has a molecular weight of 175.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroisoquinolin-5-yl)ethanol is sourced from PubChem (CID 142198132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).