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

C21H25NO — CID 10447944

IUPAC1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2C1CCCCC1
InChIInChI=1S/C21H25NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h2,5-6,9-12,15-16,21,23H,1,3-4,7-8,13-14H2
InChIKeyWVQOWITXJGHARO-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.08
Rot. Bonds2

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

1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 10447944) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID10447944
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1ccccc1)C2C1CCCCC1
InChIInChI=1S/C21H25NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h2,5-6,9-12,15-16,21,23H,1,3-4,7-8,13-14H2
InChIKeyWVQOWITXJGHARO-UHFFFAOYSA-N
XLogP5.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 10447944) is 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc2c(c1)CCN(c1ccccc1)C2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is WVQOWITXJGHARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h2,5-6,9-12,15-16,21,23H,1,3-4,7-8,13-14H2.
What are the key properties of 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol?
1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 307.44 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-phenyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 10447944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).