1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol

C37H35NO2 — CID 102310192

IUPAC1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol
SMILESOC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C37H35NO2/c39-35(34-27-38(26-29-16-6-1-7-17-29)36(34)30-18-8-2-9-19-30)28-40-37(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-36,39H,26-28H2/t34-,35?,36-/m0/s1
InChIKeyIWEXSHNRWAYZOV-KSXVSBSBSA-N
MW525.69 g/mol
LogP7.23
Rot. Bonds10

About 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol

1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol (PubChem CID 102310192) has the molecular formula C37H35NO2 and a molecular weight of 525.69 g/mol. Its IUPAC name is 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol.

Molecular Properties

Compound Name1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol
PubChem CID102310192
Molecular FormulaC37H35NO2
Molecular Weight525.69 g/mol
Exact Mass525.27
IUPAC Name1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol
SMILESOC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C37H35NO2/c39-35(34-27-38(26-29-16-6-1-7-17-29)36(34)30-18-8-2-9-19-30)28-40-37(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-36,39H,26-28H2/t34-,35?,36-/m0/s1
InChIKeyIWEXSHNRWAYZOV-KSXVSBSBSA-N
XLogP7.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.69
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(2S,3S,4S)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]-5-phenylmethoxy-1-trityloxypentan-2-ol
CID 25130803
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
4-trityloxybutane-1,3-diol
CID 14027583
(1R)-1-[(1R,2R)-2-(trityloxymethyl)cyclopropyl]heptane-1,7-diol
CID 53247789
(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56649709
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(2S)-4-amino-1-trityloxybutan-2-ol
CID 11393893
1-benzyl-2-tert-butyl-4-(4-methoxyphenyl)-5-(trityloxymethyl)piperidin-3-ol
CID 139787605
1,5-ditrityloxypentan-3-ol
CID 140507927
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 135009925
(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol
CID 134865977
1-benzyl-4-(2-phenylmethoxy-3-trityloxypropyl)piperazine
CID 118166318

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol?
The IUPAC name of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol (CID 102310192) is 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol.
What is the SMILES notation for 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol?
The canonical SMILES for 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol is OC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol?
The InChIKey is IWEXSHNRWAYZOV-KSXVSBSBSA-N. The full InChI is InChI=1S/C37H35NO2/c39-35(34-27-38(26-29-16-6-1-7-17-29)36(34)30-18-8-2-9-19-30)28-40-37(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-36,39H,26-28H2/t34-,35?,36-/m0/s1.
What are the key properties of 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol?
1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol has a molecular weight of 525.69 g/mol, XLogP of 7.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-1-benzyl-2-phenylazetidin-3-yl]-2-trityloxyethanol is sourced from PubChem (CID 102310192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).