Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate

Name: Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₆ClNO₄ — CID 117460126

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate

SMILESCOC(=O)C(O)c1ccc(OC2CN(C)C2)c(Cl)c1

InChIInChI=1S/C13H16ClNO4/c1-15-6-9(7-15)19-11-4-3-8(5-10(11)14)12(16)13(17)18-2/h3-5,9,12,16H,6-7H2,1-2H3

InChIKeyUQYSXFSCBNLOQL-UHFFFAOYSA-N

MW285.73 g/mol

LogP1.24

Rot. Bonds4

About Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate

Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate (PubChem CID 117460126) has the molecular formula C₁₃H₁₆ClNO₄ and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Name	Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate
PubChem CID	117460126
Molecular Formula	C₁₃H₁₆ClNO₄
Molecular Weight	285.73 g/mol
Exact Mass	285.08
IUPAC Name	methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate
SMILES	COC(=O)C(O)c1ccc(OC2CN(C)C2)c(Cl)c1
InChI	InChI=1S/C13H16ClNO4/c1-15-6-9(7-15)19-11-4-3-8(5-10(11)14)12(16)13(17)18-2/h3-5,9,12,16H,6-7H2,1-2H3
InChIKey	UQYSXFSCBNLOQL-UHFFFAOYSA-N
XLogP	1.24
TPSA	59.00 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.73
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate?

The IUPAC name of Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate (CID 117460126) is methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate.

What is the SMILES notation for Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate?

The canonical SMILES for Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate is COC(=O)C(O)c1ccc(OC2CN(C)C2)c(Cl)c1.

What is the InChIKey of Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate?

The InChIKey is UQYSXFSCBNLOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-15-6-9(7-15)19-11-4-3-8(5-10(11)14)12(16)13(17)18-2/h3-5,9,12,16H,6-7H2,1-2H3.

What are the key properties of Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate?

Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate has a molecular weight of 285.73 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate is sourced from PubChem (CID 117460126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117460126 — identifiers, structure, computed properties (public domain)

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