2-benzoylbenzoic acid

C14H10O3 — CID 6813

IUPAC2-benzoylbenzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChIKeyFGTYTUFKXYPTML-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.62
Rot. Bonds3

About 2-benzoylbenzoic acid

2-benzoylbenzoic acid (PubChem CID 6813) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-benzoylbenzoic acid.

Molecular Properties

Compound Name2-benzoylbenzoic acid
PubChem CID6813
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name2-benzoylbenzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChIKeyFGTYTUFKXYPTML-UHFFFAOYSA-N
XLogP2.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzoylbenzoic acid?
The IUPAC name of 2-benzoylbenzoic acid (CID 6813) is 2-benzoylbenzoic acid.
What is the SMILES notation for 2-benzoylbenzoic acid?
The canonical SMILES for 2-benzoylbenzoic acid is O=C(O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoylbenzoic acid?
The InChIKey is FGTYTUFKXYPTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17).
What are the key properties of 2-benzoylbenzoic acid?
2-benzoylbenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoylbenzoic acid is sourced from PubChem (CID 6813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).