2-(2,4-dichlorophenoxy)ethyl benzoate

C15H12Cl2O3 — CID 7208

IUPAC2-(2,4-dichlorophenoxy)ethyl benzoate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2O3/c16-12-6-7-14(13(17)10-12)19-8-9-20-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyLGURYBCSJPXHTF-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.23
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)ethyl benzoate

2-(2,4-dichlorophenoxy)ethyl benzoate (PubChem CID 7208) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl benzoate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl benzoate
PubChem CID7208
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-(2,4-dichlorophenoxy)ethyl benzoate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2O3/c16-12-6-7-14(13(17)10-12)19-8-9-20-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyLGURYBCSJPXHTF-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl benzoate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl benzoate (CID 7208) is 2-(2,4-dichlorophenoxy)ethyl benzoate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl benzoate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl benzoate is O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl benzoate?
The InChIKey is LGURYBCSJPXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-12-6-7-14(13(17)10-12)19-8-9-20-15(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl benzoate?
2-(2,4-dichlorophenoxy)ethyl benzoate has a molecular weight of 311.16 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl benzoate is sourced from PubChem (CID 7208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).