benzyl 2-(2,4,5-trichlorophenoxy)acetate

C15H11Cl3O3 — CID 71395919

IUPACbenzyl 2-(2,4,5-trichlorophenoxy)acetate
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1ccccc1
InChIInChI=1S/C15H11Cl3O3/c16-11-6-13(18)14(7-12(11)17)20-9-15(19)21-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyKWFYWVPLSRBRNX-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.77
Rot. Bonds5

About benzyl 2-(2,4,5-trichlorophenoxy)acetate

benzyl 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 71395919) has the molecular formula C15H11Cl3O3 and a molecular weight of 345.61 g/mol. Its IUPAC name is benzyl 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Namebenzyl 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID71395919
Molecular FormulaC15H11Cl3O3
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Namebenzyl 2-(2,4,5-trichlorophenoxy)acetate
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1ccccc1
InChIInChI=1S/C15H11Cl3O3/c16-11-6-13(18)14(7-12(11)17)20-9-15(19)21-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyKWFYWVPLSRBRNX-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)methyl 2-(2-chlorophenoxy)acetate
CID 2378588
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
benzyl 2-[4-(2-aminoethyl)-2-(2-oxo-2-phenylmethoxyethoxy)phenoxy]acetate
CID 134127156
benzyl 2-[4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenoxy]acetate;4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 158160589
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23735344
benzyl 2-[4-amino-2-(trifluoromethyl)phenoxy]acetate
CID 154815329
benzyl 2-(2-chloro-2-oxoethoxy)acetate
CID 86175241
benzyl 2-chloroacetate
CID 8786
benzyl 2-(4-iodophenoxy)acetate
CID 70249415
heptyl 2-(2,4,5-trichlorophenoxy)acetate
CID 102439223

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of benzyl 2-(2,4,5-trichlorophenoxy)acetate (CID 71395919) is benzyl 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for benzyl 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for benzyl 2-(2,4,5-trichlorophenoxy)acetate is O=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is KWFYWVPLSRBRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O3/c16-11-6-13(18)14(7-12(11)17)20-9-15(19)21-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of benzyl 2-(2,4,5-trichlorophenoxy)acetate?
benzyl 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 345.61 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 71395919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).