butyl 2-(2,4-dichlorophenoxy)acetate

C12H14Cl2O3 — CID 7206

IUPACbutyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
InChIKeyUQMRAFJOBWOFNS-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.72
Rot. Bonds6

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

butyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 7206) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is butyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namebutyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID7206
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Namebutyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
InChIKeyUQMRAFJOBWOFNS-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 2-(2,4-dichlorophenoxy)acetate
CID 154124758
dodecyl 2-(2,4-dichlorophenoxy)acetate
CID 6454472
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
tridecyl 2-(4-chloro-2-methylphenoxy)acetate
CID 91744367
2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate
CID 57200637
[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
CID 86308559
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
CID 169177885
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
heptyl 2-(2,4,5-trichlorophenoxy)acetate
CID 102439223
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of butyl 2-(2,4-dichlorophenoxy)acetate (CID 7206) is butyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for butyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for butyl 2-(2,4-dichlorophenoxy)acetate is CCCCOC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of butyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is UQMRAFJOBWOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of butyl 2-(2,4-dichlorophenoxy)acetate?
butyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 277.15 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 7206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).