1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol

C13H19NO4 — CID 15575129

IUPAC1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol
SMILESCOCOc1ccc(OCCN2CC(O)C2)cc1
InChIInChI=1S/C13H19NO4/c1-16-10-18-13-4-2-12(3-5-13)17-7-6-14-8-11(15)9-14/h2-5,11,15H,6-10H2,1H3
InChIKeyBJJSGLKSRAUATE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.72
Rot. Bonds7

About 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol

1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol (PubChem CID 15575129) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol
PubChem CID15575129
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol
SMILESCOCOc1ccc(OCCN2CC(O)C2)cc1
InChIInChI=1S/C13H19NO4/c1-16-10-18-13-4-2-12(3-5-13)17-7-6-14-8-11(15)9-14/h2-5,11,15H,6-10H2,1H3
InChIKeyBJJSGLKSRAUATE-UHFFFAOYSA-N
XLogP0.72
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol (CID 15575129) is 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol is COCOc1ccc(OCCN2CC(O)C2)cc1.
What is the InChIKey of 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol?
The InChIKey is BJJSGLKSRAUATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-10-18-13-4-2-12(3-5-13)17-7-6-14-8-11(15)9-14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol?
1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol has a molecular weight of 253.30 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethoxy)phenoxy]ethyl]azetidin-3-ol is sourced from PubChem (CID 15575129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).