5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid

C15H11Cl3O4 — CID 20988301

IUPAC5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3O4/c16-9-2-4-13(11(7-9)15(19)20)21-5-6-22-14-8-10(17)1-3-12(14)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyDTOOLMBLBVBGPR-UHFFFAOYSA-N
MW361.61 g/mol
LogP4.80
Rot. Bonds6

About 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid

5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid (PubChem CID 20988301) has the molecular formula C15H11Cl3O4 and a molecular weight of 361.61 g/mol. Its IUPAC name is 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
PubChem CID20988301
Molecular FormulaC15H11Cl3O4
Molecular Weight361.61 g/mol
Exact Mass359.97
IUPAC Name5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3O4/c16-9-2-4-13(11(7-9)15(19)20)21-5-6-22-14-8-10(17)1-3-12(14)18/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyDTOOLMBLBVBGPR-UHFFFAOYSA-N
XLogP4.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
CID 60651656
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
5-chloro-2-(3,3-dimethylbutoxy)benzoic acid
CID 61379705
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
2-[2-(2,5-dichlorophenoxy)ethylamino]benzoic acid
CID 18802325
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid?
The IUPAC name of 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid (CID 20988301) is 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid is O=C(O)c1cc(Cl)ccc1OCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid?
The InChIKey is DTOOLMBLBVBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O4/c16-9-2-4-13(11(7-9)15(19)20)21-5-6-22-14-8-10(17)1-3-12(14)18/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid?
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid has a molecular weight of 361.61 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 20988301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).