(4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

C17H25NO2 — CID 166631146

IUPAC(4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCC3CCCCC3)cc2[C@@H](O)C1
InChIInChI=1S/C17H25NO2/c1-18-10-14-7-8-15(9-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h7-9,13,17,19H,2-6,10-12H2,1H3/t17-/m0/s1
InChIKeySZRNAAUEANACKZ-KRWDZBQOSA-N
MW275.39 g/mol
LogP3.12
Rot. Bonds3

About (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166631146) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166631146
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCC3CCCCC3)cc2[C@@H](O)C1
InChIInChI=1S/C17H25NO2/c1-18-10-14-7-8-15(9-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h7-9,13,17,19H,2-6,10-12H2,1H3/t17-/m0/s1
InChIKeySZRNAAUEANACKZ-KRWDZBQOSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 166631146) is (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCC3CCCCC3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is SZRNAAUEANACKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-10-14-7-8-15(9-16(14)17(19)11-18)20-12-13-5-3-2-4-6-13/h7-9,13,17,19H,2-6,10-12H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 275.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(cyclohexylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166631146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).