(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol

C31H31NO2 — CID 59693628

IUPAC(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol
SMILESO[C@](Cc1ccccc1-c1ccccc1)(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C31H31NO2/c33-31(28-17-8-3-9-18-28,22-27-16-10-11-19-29(27)26-14-6-2-7-15-26)30-24-32(20-21-34-30)23-25-12-4-1-5-13-25/h1-19,30,33H,20-24H2/t30-,31+/m0/s1
InChIKeyNWBIJIDYXSPNGW-IOWSJCHKSA-N
MW449.59 g/mol
LogP5.68
Rot. Bonds7

About (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol

(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol (PubChem CID 59693628) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol
PubChem CID59693628
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol
SMILESO[C@](Cc1ccccc1-c1ccccc1)(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C31H31NO2/c33-31(28-17-8-3-9-18-28,22-27-16-10-11-19-29(27)26-14-6-2-7-15-26)30-24-32(20-21-34-30)23-25-12-4-1-5-13-25/h1-19,30,33H,20-24H2/t30-,31+/m0/s1
InChIKeyNWBIJIDYXSPNGW-IOWSJCHKSA-N
XLogP5.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol?
The IUPAC name of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol (CID 59693628) is (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol.
What is the SMILES notation for (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol?
The canonical SMILES for (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol is O[C@](Cc1ccccc1-c1ccccc1)(c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol?
The InChIKey is NWBIJIDYXSPNGW-IOWSJCHKSA-N. The full InChI is InChI=1S/C31H31NO2/c33-31(28-17-8-3-9-18-28,22-27-16-10-11-19-29(27)26-14-6-2-7-15-26)30-24-32(20-21-34-30)23-25-12-4-1-5-13-25/h1-19,30,33H,20-24H2/t30-,31+/m0/s1.
What are the key properties of (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol?
(1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol has a molecular weight of 449.59 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-4-benzylmorpholin-2-yl]-1-phenyl-2-(2-phenylphenyl)ethanol is sourced from PubChem (CID 59693628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).