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

C18H27NO2 — CID 166628286

IUPAC(4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCCC3CCCCC3)cc2[C@@H](O)C1
InChIInChI=1S/C18H27NO2/c1-19-12-15-7-8-16(11-17(15)18(20)13-19)21-10-9-14-5-3-2-4-6-14/h7-8,11,14,18,20H,2-6,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyIMWGVTZYJIXXIS-SFHVURJKSA-N
MW289.42 g/mol
LogP3.51
Rot. Bonds4

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

(4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 166628286) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID166628286
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCN1Cc2ccc(OCCC3CCCCC3)cc2[C@@H](O)C1
InChIInChI=1S/C18H27NO2/c1-19-12-15-7-8-16(11-17(15)18(20)13-19)21-10-9-14-5-3-2-4-6-14/h7-8,11,14,18,20H,2-6,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyIMWGVTZYJIXXIS-SFHVURJKSA-N
XLogP3.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol (CID 166628286) is (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is CN1Cc2ccc(OCCC3CCCCC3)cc2[C@@H](O)C1.
What is the InChIKey of (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is IMWGVTZYJIXXIS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO2/c1-19-12-15-7-8-16(11-17(15)18(20)13-19)21-10-9-14-5-3-2-4-6-14/h7-8,11,14,18,20H,2-6,9-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 289.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(2-cyclohexylethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 166628286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).