3,4-dihydroisoquinolin-3-ylmethanol

C10H11NO — CID 18663695

IUPAC3,4-dihydroisoquinolin-3-ylmethanol
SMILESOCC1Cc2ccccc2C=N1
InChIInChI=1S/C10H11NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,6,10,12H,5,7H2
InChIKeyAFOVIOXUPITRSC-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.02
Rot. Bonds1

About 3,4-dihydroisoquinolin-3-ylmethanol

3,4-dihydroisoquinolin-3-ylmethanol (PubChem CID 18663695) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3,4-dihydroisoquinolin-3-ylmethanol.

Molecular Properties

Compound Name3,4-dihydroisoquinolin-3-ylmethanol
PubChem CID18663695
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3,4-dihydroisoquinolin-3-ylmethanol
SMILESOCC1Cc2ccccc2C=N1
InChIInChI=1S/C10H11NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,6,10,12H,5,7H2
InChIKeyAFOVIOXUPITRSC-UHFFFAOYSA-N
XLogP1.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroisoquinolin-3-ylmethanol?
The IUPAC name of 3,4-dihydroisoquinolin-3-ylmethanol (CID 18663695) is 3,4-dihydroisoquinolin-3-ylmethanol.
What is the SMILES notation for 3,4-dihydroisoquinolin-3-ylmethanol?
The canonical SMILES for 3,4-dihydroisoquinolin-3-ylmethanol is OCC1Cc2ccccc2C=N1.
What is the InChIKey of 3,4-dihydroisoquinolin-3-ylmethanol?
The InChIKey is AFOVIOXUPITRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,6,10,12H,5,7H2.
What are the key properties of 3,4-dihydroisoquinolin-3-ylmethanol?
3,4-dihydroisoquinolin-3-ylmethanol has a molecular weight of 161.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroisoquinolin-3-ylmethanol is sourced from PubChem (CID 18663695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).