3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol

C16H23NO2 — CID 106873973

IUPAC3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(C2NCCc3ccccc32)C1
InChIInChI=1S/C16H23NO2/c1-19-13-6-4-9-16(18,11-13)15-14-7-3-2-5-12(14)8-10-17-15/h2-3,5,7,13,15,17-18H,4,6,8-11H2,1H3
InChIKeyXQZIGSNJXRTDGL-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.19
Rot. Bonds2

About 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol

3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol (PubChem CID 106873973) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
PubChem CID106873973
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(C2NCCc3ccccc32)C1
InChIInChI=1S/C16H23NO2/c1-19-13-6-4-9-16(18,11-13)15-14-7-3-2-5-12(14)8-10-17-15/h2-3,5,7,13,15,17-18H,4,6,8-11H2,1H3
InChIKeyXQZIGSNJXRTDGL-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol (CID 106873973) is 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol is COC1CCCC(O)(C2NCCc3ccccc32)C1.
What is the InChIKey of 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
The InChIKey is XQZIGSNJXRTDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-13-6-4-9-16(18,11-13)15-14-7-3-2-5-12(14)8-10-17-15/h2-3,5,7,13,15,17-18H,4,6,8-11H2,1H3.
What are the key properties of 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol?
3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 106873973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).