4-benzoylperoxyphthalic acid

C15H10O7 — CID 174687736

IUPAC4-benzoylperoxyphthalic acid
SMILESO=C(OOc1ccc(C(=O)O)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H10O7/c16-13(17)11-7-6-10(8-12(11)14(18)19)21-22-15(20)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)
InChIKeyOWUCFAJHXPEZEJ-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.23
Rot. Bonds5

About 4-benzoylperoxyphthalic acid

4-benzoylperoxyphthalic acid (PubChem CID 174687736) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is 4-benzoylperoxyphthalic acid.

Molecular Properties

Compound Name4-benzoylperoxyphthalic acid
PubChem CID174687736
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Name4-benzoylperoxyphthalic acid
SMILESO=C(OOc1ccc(C(=O)O)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H10O7/c16-13(17)11-7-6-10(8-12(11)14(18)19)21-22-15(20)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)
InChIKeyOWUCFAJHXPEZEJ-UHFFFAOYSA-N
XLogP2.23
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-benzoylperoxyphthalic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-benzoyloxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 141440230
4-[(3,4-dicarboxyphenoxy)-diphenyl-λ4-sulfanyl]oxyphthalic acid
CID 23168447
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
1,1'-biphenyl;4-(3,4-dicarboxyphenoxy)sulfanyloxyphthalic acid
CID 69061581
3-benzoyloxynaphthalene-1,8-dicarboxylic acid
CID 142730632
4-(hydroxymethoxy)phthalic acid
CID 59987177
4-boronooxyphthalic acid
CID 142763487
4-[4-[4-(3,4-dicarboxybenzoyl)oxyphenyl]phenoxy]carbonylphthalic acid;ethane
CID 163623583
ethane;4-phenylmethoxyphthalic acid
CID 90802135

Frequently Asked Questions

What is the IUPAC name of 4-benzoylperoxyphthalic acid?
The IUPAC name of 4-benzoylperoxyphthalic acid (CID 174687736) is 4-benzoylperoxyphthalic acid.
What is the SMILES notation for 4-benzoylperoxyphthalic acid?
The canonical SMILES for 4-benzoylperoxyphthalic acid is O=C(OOc1ccc(C(=O)O)c(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 4-benzoylperoxyphthalic acid?
The InChIKey is OWUCFAJHXPEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c16-13(17)11-7-6-10(8-12(11)14(18)19)21-22-15(20)9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 4-benzoylperoxyphthalic acid?
4-benzoylperoxyphthalic acid has a molecular weight of 302.24 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoylperoxyphthalic acid is sourced from PubChem (CID 174687736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).