5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid

C15H12Cl2O4 — CID 60651656

IUPAC5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCCOc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O4/c16-10-2-1-3-12(8-10)20-6-7-21-14-5-4-11(17)9-13(14)15(18)19/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyWUXKDTBQXLJYFE-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.15
Rot. Bonds6

About 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid

5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid (PubChem CID 60651656) has the molecular formula C15H12Cl2O4 and a molecular weight of 327.16 g/mol. Its IUPAC name is 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
PubChem CID60651656
Molecular FormulaC15H12Cl2O4
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OCCOc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2O4/c16-10-2-1-3-12(8-10)20-6-7-21-14-5-4-11(17)9-13(14)15(18)19/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyWUXKDTBQXLJYFE-UHFFFAOYSA-N
XLogP4.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.15
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

2-[2-(3-bromophenoxy)ethoxy]-4-chlorobenzoic acid
CID 45418932
5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227
5-chloro-2-(2-phenoxyethoxy)benzohydrazide
CID 54795635
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid
CID 43532238
5-chloro-2-(3-ethoxybenzoyl)oxybenzoic acid
CID 54855059
5-chloro-2-(3,3-dimethylbutoxy)benzoic acid
CID 61379705
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
CID 131885829
CID 131885829

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid?
The IUPAC name of 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid (CID 60651656) is 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid is O=C(O)c1cc(Cl)ccc1OCCOc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid?
The InChIKey is WUXKDTBQXLJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4/c16-10-2-1-3-12(8-10)20-6-7-21-14-5-4-11(17)9-13(14)15(18)19/h1-5,8-9H,6-7H2,(H,18,19).
What are the key properties of 5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid?
5-chloro-2-[2-(3-chlorophenoxy)ethoxy]benzoic acid has a molecular weight of 327.16 g/mol, XLogP of 4.15, 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-(3-chlorophenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 60651656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).