(3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate

C16H11Cl3O4 — CID 7924233

IUPAC(3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate
SMILESCC(=O)c1cccc(OC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H11Cl3O4/c1-9(20)10-3-2-4-11(5-10)23-16(21)8-22-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3
InChIKeyVKIVSVYSPXOKJS-UHFFFAOYSA-N
MW373.62 g/mol
LogP4.83
Rot. Bonds5

About (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate

(3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 7924233) has the molecular formula C16H11Cl3O4 and a molecular weight of 373.62 g/mol. Its IUPAC name is (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Name(3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID7924233
Molecular FormulaC16H11Cl3O4
Molecular Weight373.62 g/mol
Exact Mass371.97
IUPAC Name(3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate
SMILESCC(=O)c1cccc(OC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H11Cl3O4/c1-9(20)10-3-2-4-11(5-10)23-16(21)8-22-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3
InChIKeyVKIVSVYSPXOKJS-UHFFFAOYSA-N
XLogP4.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl) 2-(3-acetylphenoxy)acetate
CID 78777152
(3-acetylphenyl) 2-(4-propoxyphenoxy)acetate
CID 86975480
propan-2-yl 3-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17162363
(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
CID 78769344
[4-(cyanomethyl)phenyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8802639
methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
CID 2677908
(3-acetylphenyl) carbonochloridate
CID 13097700
(4-nitrophenyl) 2-(3-acetylphenoxy)acetate
CID 7937392
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
2-phenoxyethyl 3-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17161809
[4-(4-cyanophenyl)phenyl] 2-(3-acetylphenoxy)acetate
CID 7937393
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129

Frequently Asked Questions

What is the IUPAC name of (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate (CID 7924233) is (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate is CC(=O)c1cccc(OC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is VKIVSVYSPXOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3O4/c1-9(20)10-3-2-4-11(5-10)23-16(21)8-22-15-7-13(18)12(17)6-14(15)19/h2-7H,8H2,1H3.
What are the key properties of (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate?
(3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 373.62 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 7924233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).