2-(3,5-dichlorophenyl)benzoic acid

C13H8Cl2O2 — CID 2758078

IUPAC2-(3,5-dichlorophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl2O2/c14-9-5-8(6-10(15)7-9)11-3-1-2-4-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyBTDOPVCRCNGVQW-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.36
Rot. Bonds2

About 2-(3,5-dichlorophenyl)benzoic acid

2-(3,5-dichlorophenyl)benzoic acid (PubChem CID 2758078) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)benzoic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)benzoic acid
PubChem CID2758078
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name2-(3,5-dichlorophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl2O2/c14-9-5-8(6-10(15)7-9)11-3-1-2-4-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyBTDOPVCRCNGVQW-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)benzoic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)benzoic acid (CID 2758078) is 2-(3,5-dichlorophenyl)benzoic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)benzoic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)benzoic acid is O=C(O)c1ccccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)benzoic acid?
The InChIKey is BTDOPVCRCNGVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-9-5-8(6-10(15)7-9)11-3-1-2-4-12(11)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2-(3,5-dichlorophenyl)benzoic acid?
2-(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 2-(3,5-dichlorophenyl)benzoic acid is sourced from PubChem (CID 2758078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).