dodecyl 2-(2,4-dichlorophenoxy)acetate

C20H30Cl2O3 — CID 6454472

IUPACdodecyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCCCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H30Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(23)16-25-19-13-12-17(21)15-18(19)22/h12-13,15H,2-11,14,16H2,1H3
InChIKeyGURLHNYFCCNCKQ-UHFFFAOYSA-N
MW389.36 g/mol
LogP6.84
Rot. Bonds14

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

dodecyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 6454472) has the molecular formula C20H30Cl2O3 and a molecular weight of 389.36 g/mol. Its IUPAC name is dodecyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namedodecyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID6454472
Molecular FormulaC20H30Cl2O3
Molecular Weight389.36 g/mol
Exact Mass388.16
IUPAC Namedodecyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCCCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H30Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(23)16-25-19-13-12-17(21)15-18(19)22/h12-13,15H,2-11,14,16H2,1H3
InChIKeyGURLHNYFCCNCKQ-UHFFFAOYSA-N
XLogP6.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 56.84
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
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
tridecyl 2-(4-chloro-2-methylphenoxy)acetate
CID 91744367
heptyl 2-(2,4,5-trichlorophenoxy)acetate
CID 102439223
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate
CID 57200637
[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
CID 86308559
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
CID 169177885
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
pentyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoate
CID 19169101

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of dodecyl 2-(2,4-dichlorophenoxy)acetate (CID 6454472) is dodecyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for dodecyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for dodecyl 2-(2,4-dichlorophenoxy)acetate is CCCCCCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of dodecyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is GURLHNYFCCNCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(23)16-25-19-13-12-17(21)15-18(19)22/h12-13,15H,2-11,14,16H2,1H3.
What are the key properties of dodecyl 2-(2,4-dichlorophenoxy)acetate?
dodecyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 389.36 g/mol, XLogP of 6.84, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 6454472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).