tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate

C14H19NO4 — CID 162516277

IUPACtert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C1)OC2=CC=C(C=C2)O
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-8-12(9-15)18-11-6-4-10(16)5-7-11/h4-7,12,16H,8-9H2,1-3H3
InChIKeyAVDODZMPXRXMCP-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.30
Rot. Bonds4

About tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate

tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate (PubChem CID 162516277) has the molecular formula C14H19NO4 and a molecular weight of 265.30 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
PubChem CID162516277
Molecular FormulaC14H19NO4
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Nametert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C1)OC2=CC=C(C=C2)O
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-8-12(9-15)18-11-6-4-10(16)5-7-11/h4-7,12,16H,8-9H2,1-3H3
InChIKeyAVDODZMPXRXMCP-UHFFFAOYSA-N
XLogP2.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity312

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate?
The IUPAC name of tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate (CID 162516277) is tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate.
What is the SMILES notation for tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate?
The canonical SMILES for tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C1)OC2=CC=C(C=C2)O.
What is the InChIKey of tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate?
The InChIKey is AVDODZMPXRXMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-8-12(9-15)18-11-6-4-10(16)5-7-11/h4-7,12,16H,8-9H2,1-3H3.
What are the key properties of tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate?
tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate has a molecular weight of 265.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-Butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate is sourced from PubChem (CID 162516277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).