3-(2,4-dichlorophenoxy)but-2-enoyl chloride

C10H7Cl3O2 — CID 139622060

IUPAC3-(2,4-dichlorophenoxy)but-2-enoyl chloride
SMILESCC(=CC(=O)Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl3O2/c1-6(4-10(13)14)15-9-3-2-7(11)5-8(9)12/h2-5H,1H3
InChIKeyWJVIBWWEGOBXBC-UHFFFAOYSA-N
MW265.52 g/mol
LogP4.04
Rot. Bonds3

About 3-(2,4-dichlorophenoxy)but-2-enoyl chloride

3-(2,4-dichlorophenoxy)but-2-enoyl chloride (PubChem CID 139622060) has the molecular formula C10H7Cl3O2 and a molecular weight of 265.52 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)but-2-enoyl chloride.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)but-2-enoyl chloride
PubChem CID139622060
Molecular FormulaC10H7Cl3O2
Molecular Weight265.52 g/mol
Exact Mass263.95
IUPAC Name3-(2,4-dichlorophenoxy)but-2-enoyl chloride
SMILESCC(=CC(=O)Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl3O2/c1-6(4-10(13)14)15-9-3-2-7(11)5-8(9)12/h2-5H,1H3
InChIKeyWJVIBWWEGOBXBC-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,4-dichlorophenoxy)but-2-enoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
N-(2-cyanopropan-2-yl)-3-(2,4-dichlorophenoxy)but-2-enamide
CID 139622058
(Z)-2-(2,4-dichlorophenoxy)but-2-enedioic acid
CID 11947687
magnesium;acetic acid;hydride;methyl 2-(2,4-dichlorophenoxy)prop-2-enoate
CID 175139227
ethyl 3-(2,5-dichlorophenoxy)but-2-enoate
CID 66894690
(2,4-dichlorophenyl) pent-3-enoate
CID 174799390
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 774847
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
1-O-(2,4-dichlorophenyl) 4-O-(3-methylbutan-2-yl) (E)-but-2-enedioate
CID 91701225
1-O-(3-chlorophenyl) 4-O-(2,4-dichlorophenyl) (E)-but-2-enedioate
CID 91734070

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)but-2-enoyl chloride?
The IUPAC name of 3-(2,4-dichlorophenoxy)but-2-enoyl chloride (CID 139622060) is 3-(2,4-dichlorophenoxy)but-2-enoyl chloride.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)but-2-enoyl chloride?
The canonical SMILES for 3-(2,4-dichlorophenoxy)but-2-enoyl chloride is CC(=CC(=O)Cl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)but-2-enoyl chloride?
The InChIKey is WJVIBWWEGOBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3O2/c1-6(4-10(13)14)15-9-3-2-7(11)5-8(9)12/h2-5H,1H3.
What are the key properties of 3-(2,4-dichlorophenoxy)but-2-enoyl chloride?
3-(2,4-dichlorophenoxy)but-2-enoyl chloride has a molecular weight of 265.52 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)but-2-enoyl chloride is sourced from PubChem (CID 139622060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).