3-(3,5-dichlorophenyl)benzoic acid

C13H8Cl2O2 — CID 2758079

IUPAC3-(3,5-dichlorophenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17)
InChIKeyDJCRAGQDESWSPY-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.36
Rot. Bonds2

About 3-(3,5-dichlorophenyl)benzoic acid

3-(3,5-dichlorophenyl)benzoic acid (PubChem CID 2758079) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)benzoic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)benzoic acid
PubChem CID2758079
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name3-(3,5-dichlorophenyl)benzoic acid
SMILESO=C(O)c1cccc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17)
InChIKeyDJCRAGQDESWSPY-UHFFFAOYSA-N
XLogP4.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,5-dichlorophenyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)benzoic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)benzoic acid (CID 2758079) is 3-(3,5-dichlorophenyl)benzoic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)benzoic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)benzoic acid is O=C(O)c1cccc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)benzoic acid?
The InChIKey is DJCRAGQDESWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17).
What are the key properties of 3-(3,5-dichlorophenyl)benzoic acid?
3-(3,5-dichlorophenyl)benzoic acid has a molecular weight of 267.11 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)benzoic acid is sourced from PubChem (CID 2758079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).