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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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).