ethenyl 2-(2,4-dichlorophenoxy)acetate

C10H8Cl2O3 — CID 11806970

IUPACethenyl 2-(2,4-dichlorophenoxy)acetate
SMILESC=COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h2-5H,1,6H2
InChIKeyMRQZSXQEGOSLMV-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.06
Rot. Bonds4

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

ethenyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 11806970) has the molecular formula C10H8Cl2O3 and a molecular weight of 247.08 g/mol. Its IUPAC name is ethenyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Nameethenyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID11806970
Molecular FormulaC10H8Cl2O3
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Nameethenyl 2-(2,4-dichlorophenoxy)acetate
SMILESC=COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h2-5H,1,6H2
InChIKeyMRQZSXQEGOSLMV-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide
CID 170771177
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
(1-amino-3-methyl-1-oxobut-3-en-2-yl) 2-(2,4-dichlorophenoxy)acetate
CID 70373402

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of ethenyl 2-(2,4-dichlorophenoxy)acetate (CID 11806970) is ethenyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for ethenyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for ethenyl 2-(2,4-dichlorophenoxy)acetate is C=COC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of ethenyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is MRQZSXQEGOSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h2-5H,1,6H2.
What are the key properties of ethenyl 2-(2,4-dichlorophenoxy)acetate?
ethenyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 247.08 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 11806970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).