2-(2,4-dichlorophenoxy)propanoyl chloride

C9H7Cl3O2 — CID 14303380

IUPAC2-(2,4-dichlorophenoxy)propanoyl chloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Cl
InChIInChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3
InChIKeyONQSXERGNKDILF-UHFFFAOYSA-N
MW253.51 g/mol
LogP3.53
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)propanoyl chloride

2-(2,4-dichlorophenoxy)propanoyl chloride (PubChem CID 14303380) has the molecular formula C9H7Cl3O2 and a molecular weight of 253.51 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)propanoyl chloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)propanoyl chloride
PubChem CID14303380
Molecular FormulaC9H7Cl3O2
Molecular Weight253.51 g/mol
Exact Mass251.95
IUPAC Name2-(2,4-dichlorophenoxy)propanoyl chloride
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Cl
InChIInChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3
InChIKeyONQSXERGNKDILF-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
2-(2,4,5-trichlorophenoxy)propanoyl chloride
CID 71363977
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)propanoyl chloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)propanoyl chloride (CID 14303380) is 2-(2,4-dichlorophenoxy)propanoyl chloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)propanoyl chloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)propanoyl chloride is CC(Oc1ccc(Cl)cc1Cl)C(=O)Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)propanoyl chloride?
The InChIKey is ONQSXERGNKDILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)propanoyl chloride?
2-(2,4-dichlorophenoxy)propanoyl chloride has a molecular weight of 253.51 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)propanoyl chloride is sourced from PubChem (CID 14303380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).