methyl 2-(4-chloro-2-methylphenoxy)acetate

C10H11ClO3 — CID 17089

IUPACmethyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C10H11ClO3/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5H,6H2,1-2H3
InChIKeyVWERIRLJUWTNDA-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.20
Rot. Bonds3

About methyl 2-(4-chloro-2-methylphenoxy)acetate

methyl 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 17089) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID17089
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C10H11ClO3/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5H,6H2,1-2H3
InChIKeyVWERIRLJUWTNDA-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of methyl 2-(4-chloro-2-methylphenoxy)acetate (CID 17089) is methyl 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-chloro-2-methylphenoxy)acetate is COC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of methyl 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is VWERIRLJUWTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(4-chloro-2-methylphenoxy)acetate?
methyl 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 214.65 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 17089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).