benzoyl benzenecarboperoxoate;2-ethenylphenol

C22H18O5 — CID 174484320

IUPACbenzoyl benzenecarboperoxoate;2-ethenylphenol
SMILESC=Cc1ccccc1O.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;1-2-7-5-3-4-6-8(7)9/h1-10H;2-6,9H,1H2
InChIKeyJYEBGMTUVKWFPE-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.65
Rot. Bonds3

About benzoyl benzenecarboperoxoate;2-ethenylphenol

benzoyl benzenecarboperoxoate;2-ethenylphenol (PubChem CID 174484320) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;2-ethenylphenol.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;2-ethenylphenol
PubChem CID174484320
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Namebenzoyl benzenecarboperoxoate;2-ethenylphenol
SMILESC=Cc1ccccc1O.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;1-2-7-5-3-4-6-8(7)9/h1-10H;2-6,9H,1H2
InChIKeyJYEBGMTUVKWFPE-UHFFFAOYSA-N
XLogP4.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
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

benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
2-ethenylphenol
CID 161061609
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
CID 162316519
CID 162316519
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
CID 67789680
CID 67789680
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
ethenyl benzoate
CID 158178912

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;2-ethenylphenol?
The IUPAC name of benzoyl benzenecarboperoxoate;2-ethenylphenol (CID 174484320) is benzoyl benzenecarboperoxoate;2-ethenylphenol.
What is the SMILES notation for benzoyl benzenecarboperoxoate;2-ethenylphenol?
The canonical SMILES for benzoyl benzenecarboperoxoate;2-ethenylphenol is C=Cc1ccccc1O.O=C(OOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzenecarboperoxoate;2-ethenylphenol?
The InChIKey is JYEBGMTUVKWFPE-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;1-2-7-5-3-4-6-8(7)9/h1-10H;2-6,9H,1H2.
What are the key properties of benzoyl benzenecarboperoxoate;2-ethenylphenol?
benzoyl benzenecarboperoxoate;2-ethenylphenol has a molecular weight of 362.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;2-ethenylphenol is sourced from PubChem (CID 174484320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).