(2-benzoylphenyl)-oxo-propan-2-ylphosphanium

C16H16O2P+ — CID 175014357

IUPAC(2-benzoylphenyl)-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H16O2P/c1-12(2)19(18)15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h3-12H,1-2H3/q+1
InChIKeyQYIREDMPMTYFSP-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.78
Rot. Bonds4

About (2-benzoylphenyl)-oxo-propan-2-ylphosphanium

(2-benzoylphenyl)-oxo-propan-2-ylphosphanium (PubChem CID 175014357) has the molecular formula C16H16O2P+ and a molecular weight of 271.28 g/mol. Its IUPAC name is (2-benzoylphenyl)-oxo-propan-2-ylphosphanium.

Molecular Properties

Compound Name(2-benzoylphenyl)-oxo-propan-2-ylphosphanium
PubChem CID175014357
Molecular FormulaC16H16O2P+
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Name(2-benzoylphenyl)-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H16O2P/c1-12(2)19(18)15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h3-12H,1-2H3/q+1
InChIKeyQYIREDMPMTYFSP-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-benzoylphenyl)-oxo-propan-2-ylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium
CID 173245703
(2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium
CID 151842995
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone
CID 142740893
3-(2-benzoylphenyl)butan-2-one
CID 69061840
butane-2,3-diol;diphenylmethanone
CID 175235923
methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium
CID 66589307
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
diphenylmethanone;ethane
CID 158014879
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565

Frequently Asked Questions

What is the IUPAC name of (2-benzoylphenyl)-oxo-propan-2-ylphosphanium?
The IUPAC name of (2-benzoylphenyl)-oxo-propan-2-ylphosphanium (CID 175014357) is (2-benzoylphenyl)-oxo-propan-2-ylphosphanium.
What is the SMILES notation for (2-benzoylphenyl)-oxo-propan-2-ylphosphanium?
The canonical SMILES for (2-benzoylphenyl)-oxo-propan-2-ylphosphanium is CC(C)[P+](=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoylphenyl)-oxo-propan-2-ylphosphanium?
The InChIKey is QYIREDMPMTYFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2P/c1-12(2)19(18)15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h3-12H,1-2H3/q+1.
What are the key properties of (2-benzoylphenyl)-oxo-propan-2-ylphosphanium?
(2-benzoylphenyl)-oxo-propan-2-ylphosphanium has a molecular weight of 271.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoylphenyl)-oxo-propan-2-ylphosphanium is sourced from PubChem (CID 175014357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).