ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium

C17H16O4P+ — CID 174449070

IUPACethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium
SMILESC=C(C(=O)OO[P+](=O)CC)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O4P/c1-3-22(19)21-20-17(18)13(2)15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3/q+1
InChIKeyBUGMFUKSCPWLFE-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.60
Rot. Bonds6

About ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium

ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium (PubChem CID 174449070) has the molecular formula C17H16O4P+ and a molecular weight of 315.29 g/mol. Its IUPAC name is ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium.

Molecular Properties

Compound Nameethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium
PubChem CID174449070
Molecular FormulaC17H16O4P+
Molecular Weight315.29 g/mol
Exact Mass315.08
IUPAC Nameethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium
SMILESC=C(C(=O)OO[P+](=O)CC)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O4P/c1-3-22(19)21-20-17(18)13(2)15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3/q+1
InChIKeyBUGMFUKSCPWLFE-UHFFFAOYSA-N
XLogP4.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-phenylphenyl)but-3-enoate
CID 162401170
(2,6-diphenylphenyl) 2-methylidenebutaneperoxoate
CID 87642475
ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737
2-[2-[2-(1-carboxyethenyl)phenyl]phenyl]prop-2-enoic acid
CID 91538841
[2-phenyl-6-[2-(2-phenylphenyl)prop-2-enoyloxy]phenyl] (Z)-2,3-diethoxy-3-prop-2-enoyloxyprop-2-enoate
CID 142701458
dimethylcarbamoyl 2-phenylbenzoate
CID 143517009
acetylene;2-phenylbenzoic acid
CID 67726329
ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
CID 18690973
(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
CID 955183
N-butyl-2-phenylbenzamide
CID 21064565
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
1-phenyl-2-(1,1,3-trifluoroprop-1-en-2-yl)benzene
CID 162347965

Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium?
The IUPAC name of ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium (CID 174449070) is ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium.
What is the SMILES notation for ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium?
The canonical SMILES for ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium is C=C(C(=O)OO[P+](=O)CC)c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium?
The InChIKey is BUGMFUKSCPWLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4P/c1-3-22(19)21-20-17(18)13(2)15-11-7-8-12-16(15)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3/q+1.
What are the key properties of ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium?
ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium has a molecular weight of 315.29 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-[2-(2-phenylphenyl)prop-2-enoylperoxy]phosphanium is sourced from PubChem (CID 174449070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).