3-(2,4-dichlorophenoxy)benzoic acid

C13H8Cl2O3 — CID 13013688

IUPAC3-(2,4-dichlorophenoxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl2O3/c14-9-4-5-12(11(15)7-9)18-10-3-1-2-8(6-10)13(16)17/h1-7H,(H,16,17)
InChIKeyYPUMRLRMRBLVOR-UHFFFAOYSA-N
MW283.11 g/mol
LogP4.48
Rot. Bonds3

About 3-(2,4-dichlorophenoxy)benzoic acid

3-(2,4-dichlorophenoxy)benzoic acid (PubChem CID 13013688) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)benzoic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)benzoic acid
PubChem CID13013688
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name3-(2,4-dichlorophenoxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl2O3/c14-9-4-5-12(11(15)7-9)18-10-3-1-2-8(6-10)13(16)17/h1-7H,(H,16,17)
InChIKeyYPUMRLRMRBLVOR-UHFFFAOYSA-N
XLogP4.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)benzoic acid?
The IUPAC name of 3-(2,4-dichlorophenoxy)benzoic acid (CID 13013688) is 3-(2,4-dichlorophenoxy)benzoic acid.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)benzoic acid?
The canonical SMILES for 3-(2,4-dichlorophenoxy)benzoic acid is O=C(O)c1cccc(Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenoxy)benzoic acid?
The InChIKey is YPUMRLRMRBLVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-9-4-5-12(11(15)7-9)18-10-3-1-2-8(6-10)13(16)17/h1-7H,(H,16,17).
What are the key properties of 3-(2,4-dichlorophenoxy)benzoic acid?
3-(2,4-dichlorophenoxy)benzoic acid has a molecular weight of 283.11 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)benzoic acid is sourced from PubChem (CID 13013688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).