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

C22H21NO — CID 18172466

IUPAC1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccccc1
InChIInChI=1S/C22H21NO/c24-20-11-12-21-18(16-20)13-14-23(19-9-5-2-6-10-19)22(21)15-17-7-3-1-4-8-17/h1-12,16,22,24H,13-15H2
InChIKeyGGTCHEADLNJZRX-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.74
Rot. Bonds3

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

1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 18172466) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID18172466
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccccc1
InChIInChI=1S/C22H21NO/c24-20-11-12-21-18(16-20)13-14-23(19-9-5-2-6-10-19)22(21)15-17-7-3-1-4-8-17/h1-12,16,22,24H,13-15H2
InChIKeyGGTCHEADLNJZRX-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 18172466) is 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is GGTCHEADLNJZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c24-20-11-12-21-18(16-20)13-14-23(19-9-5-2-6-10-19)22(21)15-17-7-3-1-4-8-17/h1-12,16,22,24H,13-15H2.
What are the key properties of 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 315.42 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 18172466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).