[(3S)-3,4-dihydroisoquinolin-3-yl]methanol

C10H11NO — CID 10374731

IUPAC[(3S)-3,4-dihydroisoquinolin-3-yl]methanol
SMILESOC[C@@H]1Cc2ccccc2C=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/t10-/m0/s1
InChIKeyAFOVIOXUPITRSC-JTQLQIEISA-N
MW161.20 g/mol
LogP1.02
Rot. Bonds1

About [(3S)-3,4-dihydroisoquinolin-3-yl]methanol

[(3S)-3,4-dihydroisoquinolin-3-yl]methanol (PubChem CID 10374731) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is [(3S)-3,4-dihydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3,4-dihydroisoquinolin-3-yl]methanol
PubChem CID10374731
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name[(3S)-3,4-dihydroisoquinolin-3-yl]methanol
SMILESOC[C@@H]1Cc2ccccc2C=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/t10-/m0/s1
InChIKeyAFOVIOXUPITRSC-JTQLQIEISA-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 [(3S)-3,4-dihydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3S)-3,4-dihydroisoquinolin-3-yl]methanol (CID 10374731) is [(3S)-3,4-dihydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3S)-3,4-dihydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3S)-3,4-dihydroisoquinolin-3-yl]methanol is OC[C@@H]1Cc2ccccc2C=N1.
What is the InChIKey of [(3S)-3,4-dihydroisoquinolin-3-yl]methanol?
The InChIKey is AFOVIOXUPITRSC-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of [(3S)-3,4-dihydroisoquinolin-3-yl]methanol?
[(3S)-3,4-dihydroisoquinolin-3-yl]methanol 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 [(3S)-3,4-dihydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 10374731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).