2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid

C22H14O6 — CID 153325075

IUPAC2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cccc(C(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H14O6/c23-19(15-8-1-3-10-17(15)21(25)26)13-6-5-7-14(12-13)20(24)16-9-2-4-11-18(16)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyDJBSKUVOSRYVOJ-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.55
Rot. Bonds6

About 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid

2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid (PubChem CID 153325075) has the molecular formula C22H14O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
PubChem CID153325075
Molecular FormulaC22H14O6
Molecular Weight374.35 g/mol
Exact Mass374.08
IUPAC Name2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cccc(C(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C22H14O6/c23-19(15-8-1-3-10-17(15)21(25)26)13-6-5-7-14(12-13)20(24)16-9-2-4-11-18(16)22(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyDJBSKUVOSRYVOJ-UHFFFAOYSA-N
XLogP3.55
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbenzoyl)benzoic acid
CID 2801746
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-(3-methylsulfanylbenzoyl)benzoic acid
CID 91655850
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
3-(3-carboxybenzoyl)benzoic acid
CID 754396
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid?
The IUPAC name of 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid (CID 153325075) is 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid.
What is the SMILES notation for 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid?
The canonical SMILES for 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid is O=C(O)c1ccccc1C(=O)c1cccc(C(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid?
The InChIKey is DJBSKUVOSRYVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O6/c23-19(15-8-1-3-10-17(15)21(25)26)13-6-5-7-14(12-13)20(24)16-9-2-4-11-18(16)22(27)28/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid?
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid has a molecular weight of 374.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid is sourced from PubChem (CID 153325075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).