benzoyl benzenecarboperoxoate;1-phenylethanone

C22H18O5 — CID 158043567

IUPACbenzoyl benzenecarboperoxoate;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C8H8O/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-7(9)8-5-3-2-4-6-8/h1-10H;2-6H,1H3
InChIKeyFIQJQYCRBJSMNQ-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.50
Rot. Bonds3

About benzoyl benzenecarboperoxoate;1-phenylethanone

benzoyl benzenecarboperoxoate;1-phenylethanone (PubChem CID 158043567) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;1-phenylethanone.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;1-phenylethanone
PubChem CID158043567
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Namebenzoyl benzenecarboperoxoate;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C8H8O/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-7(9)8-5-3-2-4-6-8/h1-10H;2-6H,1H3
InChIKeyFIQJQYCRBJSMNQ-UHFFFAOYSA-N
XLogP4.50
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
CID 22025249
CID 22025249
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;1-phenylethanone?
The IUPAC name of benzoyl benzenecarboperoxoate;1-phenylethanone (CID 158043567) is benzoyl benzenecarboperoxoate;1-phenylethanone.
What is the SMILES notation for benzoyl benzenecarboperoxoate;1-phenylethanone?
The canonical SMILES for benzoyl benzenecarboperoxoate;1-phenylethanone is CC(=O)c1ccccc1.O=C(OOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzenecarboperoxoate;1-phenylethanone?
The InChIKey is FIQJQYCRBJSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.C8H8O/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-7(9)8-5-3-2-4-6-8/h1-10H;2-6H,1H3.
What are the key properties of benzoyl benzenecarboperoxoate;1-phenylethanone?
benzoyl benzenecarboperoxoate;1-phenylethanone has a molecular weight of 362.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;1-phenylethanone is sourced from PubChem (CID 158043567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).