1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol

C16H17NO — CID 69311906

IUPAC1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol
SMILESOC1(Cc2ccccc2)NCCc2ccccc21
InChIInChI=1S/C16H17NO/c18-16(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)10-11-17-16/h1-9,17-18H,10-12H2
InChIKeyKTTFHPUETBPJOR-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.22
Rot. Bonds2

About 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol

1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol (PubChem CID 69311906) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol.

Molecular Properties

Compound Name1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol
PubChem CID69311906
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol
SMILESOC1(Cc2ccccc2)NCCc2ccccc21
InChIInChI=1S/C16H17NO/c18-16(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)10-11-17-16/h1-9,17-18H,10-12H2
InChIKeyKTTFHPUETBPJOR-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol?
The IUPAC name of 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol (CID 69311906) is 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol.
What is the SMILES notation for 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol?
The canonical SMILES for 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol is OC1(Cc2ccccc2)NCCc2ccccc21.
What is the InChIKey of 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol?
The InChIKey is KTTFHPUETBPJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)10-11-17-16/h1-9,17-18H,10-12H2.
What are the key properties of 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol?
1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol has a molecular weight of 239.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-dihydro-2H-isoquinolin-1-ol is sourced from PubChem (CID 69311906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).