2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol

C23H23NO2 — CID 166630489

IUPAC2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESOC1CN(Cc2ccccc2)Cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C23H23NO2/c25-23-16-24(14-18-7-3-1-4-8-18)15-20-11-12-21(13-22(20)23)26-17-19-9-5-2-6-10-19/h1-13,23,25H,14-17H2
InChIKeyWFFBKHVXMIPVMY-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.31
Rot. Bonds5

About 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol

2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166630489) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166630489
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESOC1CN(Cc2ccccc2)Cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C23H23NO2/c25-23-16-24(14-18-7-3-1-4-8-18)15-20-11-12-21(13-22(20)23)26-17-19-9-5-2-6-10-19/h1-13,23,25H,14-17H2
InChIKeyWFFBKHVXMIPVMY-UHFFFAOYSA-N
XLogP4.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 166630489) is 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol is OC1CN(Cc2ccccc2)Cc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is WFFBKHVXMIPVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23-16-24(14-18-7-3-1-4-8-18)15-20-11-12-21(13-22(20)23)26-17-19-9-5-2-6-10-19/h1-13,23,25H,14-17H2.
What are the key properties of 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 345.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166630489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).