(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol

C15H23NO2 — CID 78940812

IUPAC(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
SMILESCC1CN(c2ccc([C@@H](C)O)cc2)CC(C)(C)O1
InChIInChI=1S/C15H23NO2/c1-11-9-16(10-15(3,4)18-11)14-7-5-13(6-8-14)12(2)17/h5-8,11-12,17H,9-10H2,1-4H3/t11?,12-/m1/s1
InChIKeyIYSMNVKEOVNYTE-PIJUOVFKSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds2

About (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol

(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol (PubChem CID 78940812) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
PubChem CID78940812
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
SMILESCC1CN(c2ccc([C@@H](C)O)cc2)CC(C)(C)O1
InChIInChI=1S/C15H23NO2/c1-11-9-16(10-15(3,4)18-11)14-7-5-13(6-8-14)12(2)17/h5-8,11-12,17H,9-10H2,1-4H3/t11?,12-/m1/s1
InChIKeyIYSMNVKEOVNYTE-PIJUOVFKSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol (CID 78940812) is (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol is CC1CN(c2ccc([C@@H](C)O)cc2)CC(C)(C)O1.
What is the InChIKey of (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
The InChIKey is IYSMNVKEOVNYTE-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-16(10-15(3,4)18-11)14-7-5-13(6-8-14)12(2)17/h5-8,11-12,17H,9-10H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 78940812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).