2-(3,5-dichlorophenoxy)propanoyl chloride

C9H7Cl3O2 — CID 82042078

IUPAC2-(3,5-dichlorophenoxy)propanoyl chloride
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)Cl
InChIInChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-3-6(10)2-7(11)4-8/h2-5H,1H3
InChIKeyNCUYYFTXCHPIMG-UHFFFAOYSA-N
MW253.51 g/mol
LogP3.53
Rot. Bonds3

About 2-(3,5-dichlorophenoxy)propanoyl chloride

2-(3,5-dichlorophenoxy)propanoyl chloride (PubChem CID 82042078) has the molecular formula C9H7Cl3O2 and a molecular weight of 253.51 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)propanoyl chloride.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)propanoyl chloride
PubChem CID82042078
Molecular FormulaC9H7Cl3O2
Molecular Weight253.51 g/mol
Exact Mass251.95
IUPAC Name2-(3,5-dichlorophenoxy)propanoyl chloride
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)Cl
InChIInChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-3-6(10)2-7(11)4-8/h2-5H,1H3
InChIKeyNCUYYFTXCHPIMG-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-(3,4,5-trichlorophenoxy)propanoyl chloride
CID 71390438
(2S)-2-(3,5-dichlorophenoxy)-N-methoxypropanamide
CID 95293041
2-(3,5-dichlorophenoxy)butanoyl chloride
CID 13239466
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
(2S)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467191
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
CID 95286382
(2R)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467192
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
2-(4-ethoxyphenoxy)propanoyl chloride
CID 82041126
2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433605

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)propanoyl chloride?
The IUPAC name of 2-(3,5-dichlorophenoxy)propanoyl chloride (CID 82042078) is 2-(3,5-dichlorophenoxy)propanoyl chloride.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)propanoyl chloride?
The canonical SMILES for 2-(3,5-dichlorophenoxy)propanoyl chloride is CC(Oc1cc(Cl)cc(Cl)c1)C(=O)Cl.
What is the InChIKey of 2-(3,5-dichlorophenoxy)propanoyl chloride?
The InChIKey is NCUYYFTXCHPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O2/c1-5(9(12)13)14-8-3-6(10)2-7(11)4-8/h2-5H,1H3.
What are the key properties of 2-(3,5-dichlorophenoxy)propanoyl chloride?
2-(3,5-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-(3,5-dichlorophenoxy)propanoyl chloride is sourced from PubChem (CID 82042078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).