3-(4-chlorophenoxy)benzoic acid

C13H9ClO3 — CID 15354826

IUPAC3-(4-chlorophenoxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,(H,15,16)
InChIKeyICBGRQBEFICVLK-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.83
Rot. Bonds3

About 3-(4-chlorophenoxy)benzoic acid

3-(4-chlorophenoxy)benzoic acid (PubChem CID 15354826) has the molecular formula C13H9ClO3 and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)benzoic acid.

Molecular Properties

Compound Name3-(4-chlorophenoxy)benzoic acid
PubChem CID15354826
Molecular FormulaC13H9ClO3
Molecular Weight248.67 g/mol
Exact Mass248.02
IUPAC Name3-(4-chlorophenoxy)benzoic acid
SMILESO=C(O)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,(H,15,16)
InChIKeyICBGRQBEFICVLK-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)benzoic acid?
The IUPAC name of 3-(4-chlorophenoxy)benzoic acid (CID 15354826) is 3-(4-chlorophenoxy)benzoic acid.
What is the SMILES notation for 3-(4-chlorophenoxy)benzoic acid?
The canonical SMILES for 3-(4-chlorophenoxy)benzoic acid is O=C(O)c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenoxy)benzoic acid?
The InChIKey is ICBGRQBEFICVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,(H,15,16).
What are the key properties of 3-(4-chlorophenoxy)benzoic acid?
3-(4-chlorophenoxy)benzoic acid has a molecular weight of 248.67 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)benzoic acid is sourced from PubChem (CID 15354826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).