2,2-diphenylethenyl benzenecarboperoxoate

C21H16O3 — CID 87455331

IUPAC2,2-diphenylethenyl benzenecarboperoxoate
SMILESO=C(OOC=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-21(19-14-8-3-9-15-19)24-23-16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H
InChIKeyGGHLNAHECMSTCO-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.86
Rot. Bonds5

About 2,2-diphenylethenyl benzenecarboperoxoate

2,2-diphenylethenyl benzenecarboperoxoate (PubChem CID 87455331) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2,2-diphenylethenyl benzenecarboperoxoate.

Molecular Properties

Compound Name2,2-diphenylethenyl benzenecarboperoxoate
PubChem CID87455331
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name2,2-diphenylethenyl benzenecarboperoxoate
SMILESO=C(OOC=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-21(19-14-8-3-9-15-19)24-23-16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H
InChIKeyGGHLNAHECMSTCO-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
buta-1,3-dienyl benzenecarboperoxoate
CID 174974294
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
2-(2,2-diphenylethenoxy)-2-oxoacetic acid
CID 150651054
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
benzoyloxy(chloro)mercury
CID 70255792
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylethenyl benzenecarboperoxoate?
The IUPAC name of 2,2-diphenylethenyl benzenecarboperoxoate (CID 87455331) is 2,2-diphenylethenyl benzenecarboperoxoate.
What is the SMILES notation for 2,2-diphenylethenyl benzenecarboperoxoate?
The canonical SMILES for 2,2-diphenylethenyl benzenecarboperoxoate is O=C(OOC=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylethenyl benzenecarboperoxoate?
The InChIKey is GGHLNAHECMSTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-21(19-14-8-3-9-15-19)24-23-16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H.
What are the key properties of 2,2-diphenylethenyl benzenecarboperoxoate?
2,2-diphenylethenyl benzenecarboperoxoate has a molecular weight of 316.36 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylethenyl benzenecarboperoxoate is sourced from PubChem (CID 87455331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).