(1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol

C32H33NO3 — CID 57238427

IUPAC(1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol
SMILESO[C@H](COC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCO1)c1ccccc1
InChIInChI=1S/C32H33NO3/c34-31(26-13-5-1-6-14-26)25-35-24-30-23-33(21-22-36-30)32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-31,34H,21-25H2/t30-,31+/m0/s1
InChIKeyRCIACISHRVZGRL-IOWSJCHKSA-N
MW479.62 g/mol
LogP5.43
Rot. Bonds9

About (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol

(1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol (PubChem CID 57238427) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol
PubChem CID57238427
Molecular FormulaC32H33NO3
Molecular Weight479.62 g/mol
Exact Mass479.25
IUPAC Name(1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol
SMILESO[C@H](COC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCO1)c1ccccc1
InChIInChI=1S/C32H33NO3/c34-31(26-13-5-1-6-14-26)25-35-24-30-23-33(21-22-36-30)32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-31,34H,21-25H2/t30-,31+/m0/s1
InChIKeyRCIACISHRVZGRL-IOWSJCHKSA-N
XLogP5.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol (CID 57238427) is (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol is O[C@H](COC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCO1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol?
The InChIKey is RCIACISHRVZGRL-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H33NO3/c34-31(26-13-5-1-6-14-26)25-35-24-30-23-33(21-22-36-30)32(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-31,34H,21-25H2/t30-,31+/m0/s1.
What are the key properties of (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol?
(1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol has a molecular weight of 479.62 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[[(2S)-4-tritylmorpholin-2-yl]methoxy]ethanol is sourced from PubChem (CID 57238427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).