tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol

C15H23NO4 — CID 174818494

IUPACtert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol
SMILESCC(C)(C)OC=O.COc1ccc(C2(O)CNC2)cc1
InChIInChI=1S/C10H13NO2.C5H10O2/c1-13-9-4-2-8(3-5-9)10(12)6-11-7-10;1-5(2,3)7-4-6/h2-5,11-12H,6-7H2,1H3;4H,1-3H3
InChIKeyHUKJUUJODKCXHR-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.44
Rot. Bonds3

About tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol

tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol (PubChem CID 174818494) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol.

Molecular Properties

Compound Nametert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol
PubChem CID174818494
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol
SMILESCC(C)(C)OC=O.COc1ccc(C2(O)CNC2)cc1
InChIInChI=1S/C10H13NO2.C5H10O2/c1-13-9-4-2-8(3-5-9)10(12)6-11-7-10;1-5(2,3)7-4-6/h2-5,11-12H,6-7H2,1H3;4H,1-3H3
InChIKeyHUKJUUJODKCXHR-UHFFFAOYSA-N
XLogP1.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol?
The IUPAC name of tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol (CID 174818494) is tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol.
What is the SMILES notation for tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol?
The canonical SMILES for tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol is CC(C)(C)OC=O.COc1ccc(C2(O)CNC2)cc1.
What is the InChIKey of tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol?
The InChIKey is HUKJUUJODKCXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C5H10O2/c1-13-9-4-2-8(3-5-9)10(12)6-11-7-10;1-5(2,3)7-4-6/h2-5,11-12H,6-7H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol?
tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol has a molecular weight of 281.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-(4-methoxyphenyl)azetidin-3-ol is sourced from PubChem (CID 174818494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).