benzoyl benzenecarboperoxoate;hydron

C14H11O4+ — CID 20524010

IUPACbenzoyl benzenecarboperoxoate;hydron
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1.[H+]
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/p+1
InChIKeyOMPJBNCRMGITSC-UHFFFAOYSA-O
MW243.24 g/mol
LogP2.73
Rot. Bonds2

About benzoyl benzenecarboperoxoate;hydron

benzoyl benzenecarboperoxoate;hydron (PubChem CID 20524010) has the molecular formula C14H11O4+ and a molecular weight of 243.24 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;hydron.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;hydron
PubChem CID20524010
Molecular FormulaC14H11O4+
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Namebenzoyl benzenecarboperoxoate;hydron
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1.[H+]
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/p+1
InChIKeyOMPJBNCRMGITSC-UHFFFAOYSA-O
XLogP2.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.73
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

argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
CID 87385719
(2-fluoroacetyl) benzenecarboperoxoate
CID 87248345
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320
acetylperoxy benzenecarboperoxoate
CID 154134678

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;hydron?
The IUPAC name of benzoyl benzenecarboperoxoate;hydron (CID 20524010) is benzoyl benzenecarboperoxoate;hydron.
What is the SMILES notation for benzoyl benzenecarboperoxoate;hydron?
The canonical SMILES for benzoyl benzenecarboperoxoate;hydron is O=C(OOC(=O)c1ccccc1)c1ccccc1.[H+].
What is the InChIKey of benzoyl benzenecarboperoxoate;hydron?
The InChIKey is OMPJBNCRMGITSC-UHFFFAOYSA-O. 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/p+1.
What are the key properties of benzoyl benzenecarboperoxoate;hydron?
benzoyl benzenecarboperoxoate;hydron has a molecular weight of 243.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;hydron is sourced from PubChem (CID 20524010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).