2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride

C9H6Cl4O2 — CID 12056776

IUPAC2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(OCCCl)c1Cl
InChIInChI=1S/C9H6Cl4O2/c10-3-4-15-8-6(11)2-1-5(7(8)12)9(13)14/h1-2H,3-4H2
InChIKeyQJLUDOMZNYGVFK-UHFFFAOYSA-N
MW287.96 g/mol
LogP3.99
Rot. Bonds4

About 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride

2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride (PubChem CID 12056776) has the molecular formula C9H6Cl4O2 and a molecular weight of 287.96 g/mol. Its IUPAC name is 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride
PubChem CID12056776
Molecular FormulaC9H6Cl4O2
Molecular Weight287.96 g/mol
Exact Mass285.91
IUPAC Name2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(OCCCl)c1Cl
InChIInChI=1S/C9H6Cl4O2/c10-3-4-15-8-6(11)2-1-5(7(8)12)9(13)14/h1-2H,3-4H2
InChIKeyQJLUDOMZNYGVFK-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.96
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride
CID 57437255
2,4-dichloro-3-[2-(5-methylsulfanyltetrazol-2-yl)ethoxy]benzoyl chloride
CID 87999782
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822
2,4-dichloro-3-methylbenzoyl chloride
CID 13235952
methyl 2,4-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 67768456
3-chloro-2-(2,4-dichloro-3-propoxybenzoyl)cyclohex-2-en-1-one
CID 142271784
ethyl 2,4-dichloro-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
CID 68642230
2-chloro-4-methylsulfonyl-3-[2-(5-methyltetrazol-1-yl)ethoxy]benzoyl chloride
CID 87999647
(6-acetamido-3-carbonochloridoyl-2-chlorophenyl) acetate
CID 88747075
2-chloro-3,4-dimethylbenzoyl chloride
CID 173294556
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
4-carbonochloridoyl-3-chlorophthalic acid
CID 172696921

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride?
The IUPAC name of 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride (CID 12056776) is 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride.
What is the SMILES notation for 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride?
The canonical SMILES for 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride is O=C(Cl)c1ccc(Cl)c(OCCCl)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride?
The InChIKey is QJLUDOMZNYGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl4O2/c10-3-4-15-8-6(11)2-1-5(7(8)12)9(13)14/h1-2H,3-4H2.
What are the key properties of 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride?
2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride has a molecular weight of 287.96 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(2-chloroethoxy)benzoyl chloride is sourced from PubChem (CID 12056776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).