methyl 2-(4-amino-2-chlorophenoxy)acetate

C9H10ClNO3 — CID 24700057

IUPACmethyl 2-(4-amino-2-chlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-13-9(12)5-14-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3
InChIKeyGQAZDIURYMTMFE-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-(4-amino-2-chlorophenoxy)acetate

methyl 2-(4-amino-2-chlorophenoxy)acetate (PubChem CID 24700057) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 2-(4-amino-2-chlorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2-chlorophenoxy)acetate
PubChem CID24700057
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethyl 2-(4-amino-2-chlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClNO3/c1-13-9(12)5-14-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3
InChIKeyGQAZDIURYMTMFE-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-2-chlorophenoxy)acetate?
The IUPAC name of methyl 2-(4-amino-2-chlorophenoxy)acetate (CID 24700057) is methyl 2-(4-amino-2-chlorophenoxy)acetate.
What is the SMILES notation for methyl 2-(4-amino-2-chlorophenoxy)acetate?
The canonical SMILES for methyl 2-(4-amino-2-chlorophenoxy)acetate is COC(=O)COc1ccc(N)cc1Cl.
What is the InChIKey of methyl 2-(4-amino-2-chlorophenoxy)acetate?
The InChIKey is GQAZDIURYMTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-9(12)5-14-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3.
What are the key properties of methyl 2-(4-amino-2-chlorophenoxy)acetate?
methyl 2-(4-amino-2-chlorophenoxy)acetate has a molecular weight of 215.64 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2-chlorophenoxy)acetate is sourced from PubChem (CID 24700057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).