benzoyl benzenecarboperoxoate

C14H10O4 — CID 7187

💊View drug profile → benzoyl peroxide
IUPACbenzoyl benzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
InChIKeyOMPJBNCRMGITSC-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.62
Rot. Bonds2

About benzoyl benzenecarboperoxoate

benzoyl benzenecarboperoxoate (PubChem CID 7187) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate
PubChem CID7187
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Namebenzoyl benzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
InChIKeyOMPJBNCRMGITSC-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzoic Acid
CID 243
Benzyl Benzoate
CID 2345
Sodium Benzoate
CID 517055
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
Dimethyl terephthalate
CID 8441
Butyl Benzoate
CID 8698
P-Toluic Acid
CID 7470
Potassium Benzoate
CID 23661960
Hexyl benzoate
CID 23235
Propyl Benzoate
CID 16846
2-Methylbenzoic acid
CID 8373

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate?
The IUPAC name of benzoyl benzenecarboperoxoate (CID 7187) is benzoyl benzenecarboperoxoate.
What is the SMILES notation for benzoyl benzenecarboperoxoate?
The canonical SMILES for benzoyl benzenecarboperoxoate is O=C(OOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzenecarboperoxoate?
The InChIKey is OMPJBNCRMGITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H.
What are the key properties of benzoyl benzenecarboperoxoate?
benzoyl benzenecarboperoxoate has a molecular weight of 242.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate is sourced from PubChem (CID 7187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).