(2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium

C24H22O3P+ — CID 151842995

IUPAC(2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)c1cccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C24H22O3P/c1-17(2)16-28(27)21-15-9-14-20(23(25)18-10-5-3-6-11-18)22(21)24(26)19-12-7-4-8-13-19/h3-15,17H,16H2,1-2H3/q+1
InChIKeyGRUBVHZJPFHEOR-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.26
Rot. Bonds7

About (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium

(2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium (PubChem CID 151842995) has the molecular formula C24H22O3P+ and a molecular weight of 389.41 g/mol. Its IUPAC name is (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium.

Molecular Properties

Compound Name(2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium
PubChem CID151842995
Molecular FormulaC24H22O3P+
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name(2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)c1cccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C24H22O3P/c1-17(2)16-28(27)21-15-9-14-20(23(25)18-10-5-3-6-11-18)22(21)24(26)19-12-7-4-8-13-19/h3-15,17H,16H2,1-2H3/q+1
InChIKeyGRUBVHZJPFHEOR-UHFFFAOYSA-N
XLogP5.26
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-benzoylphenyl)-oxo-propan-2-ylphosphanium
CID 175014357
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
2-methylpropyl 2-benzoylbenzoate
CID 142743650
2,3-dibenzoylbenzaldehyde
CID 54496315
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
1-(3-benzoylfuran-2-yl)-2-methylpropan-1-one
CID 174936690

Frequently Asked Questions

What is the IUPAC name of (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium?
The IUPAC name of (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium (CID 151842995) is (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium.
What is the SMILES notation for (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium?
The canonical SMILES for (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium is CC(C)C[P+](=O)c1cccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium?
The InChIKey is GRUBVHZJPFHEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3P/c1-17(2)16-28(27)21-15-9-14-20(23(25)18-10-5-3-6-11-18)22(21)24(26)19-12-7-4-8-13-19/h3-15,17H,16H2,1-2H3/q+1.
What are the key properties of (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium?
(2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium has a molecular weight of 389.41 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibenzoylphenyl)-(2-methylpropyl)-oxophosphanium is sourced from PubChem (CID 151842995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).