2,5-dichloro-3-phenylbenzoic acid

C13H8Cl2O2 — CID 70699464

IUPAC2,5-dichloro-3-phenylbenzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccccc2)c1Cl
InChIInChI=1S/C13H8Cl2O2/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7H,(H,16,17)
InChIKeyYMKWQLJXFUBXQH-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.36
Rot. Bonds2

About 2,5-dichloro-3-phenylbenzoic acid

2,5-dichloro-3-phenylbenzoic acid (PubChem CID 70699464) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 2,5-dichloro-3-phenylbenzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-phenylbenzoic acid
PubChem CID70699464
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name2,5-dichloro-3-phenylbenzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccccc2)c1Cl
InChIInChI=1S/C13H8Cl2O2/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7H,(H,16,17)
InChIKeyYMKWQLJXFUBXQH-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 2,5-dichloro-3-phenylbenzoic acid?
The IUPAC name of 2,5-dichloro-3-phenylbenzoic acid (CID 70699464) is 2,5-dichloro-3-phenylbenzoic acid.
What is the SMILES notation for 2,5-dichloro-3-phenylbenzoic acid?
The canonical SMILES for 2,5-dichloro-3-phenylbenzoic acid is O=C(O)c1cc(Cl)cc(-c2ccccc2)c1Cl.
What is the InChIKey of 2,5-dichloro-3-phenylbenzoic acid?
The InChIKey is YMKWQLJXFUBXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2,5-dichloro-3-phenylbenzoic acid?
2,5-dichloro-3-phenylbenzoic 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 2,5-dichloro-3-phenylbenzoic acid is sourced from PubChem (CID 70699464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).