(4-phenylbenzoyl)oxidanium

C13H11O2+ — CID 148658843

IUPAC(4-phenylbenzoyl)oxidanium
SMILESO=C([OH2+])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)/p+1
InChIKeyNNJMFJSKMRYHSR-UHFFFAOYSA-O
MW199.23 g/mol
LogP2.22
Rot. Bonds2

About (4-phenylbenzoyl)oxidanium

(4-phenylbenzoyl)oxidanium (PubChem CID 148658843) has the molecular formula C13H11O2+ and a molecular weight of 199.23 g/mol. Its IUPAC name is (4-phenylbenzoyl)oxidanium.

Molecular Properties

Compound Name(4-phenylbenzoyl)oxidanium
PubChem CID148658843
Molecular FormulaC13H11O2+
Molecular Weight199.23 g/mol
Exact Mass199.08
IUPAC Name(4-phenylbenzoyl)oxidanium
SMILESO=C([OH2+])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)/p+1
InChIKeyNNJMFJSKMRYHSR-UHFFFAOYSA-O
XLogP2.22
TPSA39.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

phenyl-(4-phenylphenyl)methanone
CID 155775877
sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-(1-bromoethenyl)-4-phenylbenzene
CID 14972758
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
ethane;4-phenylbenzoic acid;propane
CID 156791718
bis(1,1'-biphenyl);carbonate
CID 23514328
1-(4-phenylphenyl)ethenol
CID 89336300
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209

Frequently Asked Questions

What is the IUPAC name of (4-phenylbenzoyl)oxidanium?
The IUPAC name of (4-phenylbenzoyl)oxidanium (CID 148658843) is (4-phenylbenzoyl)oxidanium.
What is the SMILES notation for (4-phenylbenzoyl)oxidanium?
The canonical SMILES for (4-phenylbenzoyl)oxidanium is O=C([OH2+])c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylbenzoyl)oxidanium?
The InChIKey is NNJMFJSKMRYHSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)/p+1.
What are the key properties of (4-phenylbenzoyl)oxidanium?
(4-phenylbenzoyl)oxidanium has a molecular weight of 199.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylbenzoyl)oxidanium is sourced from PubChem (CID 148658843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).