methyl 2-(2,4-dichlorophenoxy)acetate

C9H8Cl2O3 — CID 1488

IUPACmethyl 2-(2,4-dichlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
InChIKeyHWIGZMADSFQMOI-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.55
Rot. Bonds3

About methyl 2-(2,4-dichlorophenoxy)acetate

methyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 1488) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is methyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID1488
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Namemethyl 2-(2,4-dichlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
InChIKeyHWIGZMADSFQMOI-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-D-Dimethylammonium
CID 16180
Clofibrate
CID 2796
(2,4-Dichlorophenoxy)Acetic Acid
CID 1486
Trichlorophenoxyacetic acid
CID 1480
Diclofop-methyl
CID 39985
2,4-D-sodium
CID 23676704
2,4-D n-butyl ester
CID 7206
Clofibric Acid
CID 2797
Erbon
CID 8686
4-(2,4-Dichlorophenoxy)butyric acid
CID 1489
Dichlorprop
CID 8427
(4-Chlorophenoxy)acetic acid
CID 26229

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of methyl 2-(2,4-dichlorophenoxy)acetate (CID 1488) is methyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for methyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for methyl 2-(2,4-dichlorophenoxy)acetate is COC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is HWIGZMADSFQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2,4-dichlorophenoxy)acetate?
methyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 235.07 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 1488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).