Empagliflozin Impurity 2

Name: Empagliflozin Impurity 2 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₇ClO₂ — CID 141288000

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

IUPAC(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane

SMILESClc1ccccc1Cc1ccc(O[C@H]2CCOC2)cc1

InChIInChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1

InChIKeyJYZBRIZBJDEAIX-INIZCTEOSA-N

MW288.77 g/mol

LogP4.10

Rot. Bonds4

About Empagliflozin Impurity 2

Empagliflozin Impurity 2 (PubChem CID 141288000) has the molecular formula C₁₇H₁₇ClO₂ and a molecular weight of 288.77 g/mol. Its IUPAC name is (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane.

Molecular Properties

Compound Name	Empagliflozin Impurity 2
PubChem CID	141288000
Molecular Formula	C₁₇H₁₇ClO₂
Molecular Weight	288.77 g/mol
Exact Mass	288.09
IUPAC Name	(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
SMILES	Clc1ccccc1Cc1ccc(O[C@H]2CCOC2)cc1
InChI	InChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1
InChIKey	JYZBRIZBJDEAIX-INIZCTEOSA-N
XLogP	4.10
TPSA	18.46 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.77
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Empagliflozin Impurity 2?

The IUPAC name of Empagliflozin Impurity 2 (CID 141288000) is (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane.

What is the SMILES notation for Empagliflozin Impurity 2?

The canonical SMILES for Empagliflozin Impurity 2 is Clc1ccccc1Cc1ccc(O[C@H]2CCOC2)cc1.

What is the InChIKey of Empagliflozin Impurity 2?

The InChIKey is JYZBRIZBJDEAIX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1.

What are the key properties of Empagliflozin Impurity 2?

Empagliflozin Impurity 2 has a molecular weight of 288.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Empagliflozin Impurity 2 is sourced from PubChem (CID 141288000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141288000 — identifiers, structure, computed properties (public domain)

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