(4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium

C26H38OP+ — CID 57341479

IUPAC(4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium
SMILESCC(C)C[P+](Cc1ccc(C(=O)c2ccccc2)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C26H38OP/c1-20(2)16-28(17-21(3)4,18-22(5)6)19-23-12-14-25(15-13-23)26(27)24-10-8-7-9-11-24/h7-15,20-22H,16-19H2,1-6H3/q+1
InChIKeyJMLDHYQQRQJRMU-UHFFFAOYSA-N
MW397.56 g/mol
LogP7.40
Rot. Bonds10

About (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium

(4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium (PubChem CID 57341479) has the molecular formula C26H38OP+ and a molecular weight of 397.56 g/mol. Its IUPAC name is (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium.

Molecular Properties

Compound Name(4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium
PubChem CID57341479
Molecular FormulaC26H38OP+
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name(4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium
SMILESCC(C)C[P+](Cc1ccc(C(=O)c2ccccc2)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C26H38OP/c1-20(2)16-28(17-21(3)4,18-22(5)6)19-23-12-14-25(15-13-23)26(27)24-10-8-7-9-11-24/h7-15,20-22H,16-19H2,1-6H3/q+1
InChIKeyJMLDHYQQRQJRMU-UHFFFAOYSA-N
XLogP7.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane-2,3-diol;diphenylmethanone
CID 175235923
1-(4-benzoylphenyl)-4-methyl-2-(methylamino)pentan-3-one
CID 122651379
3-[(4-benzoylphenyl)methyl]-1-phenylpentane-2,4-dione
CID 68503965
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride
CID 156593693
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
[4-(methyltellurinylmethyl)phenyl]-phenylmethanone
CID 175127821
(4-methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium dibromide
CID 45104023
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium?
The IUPAC name of (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium (CID 57341479) is (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium.
What is the SMILES notation for (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium?
The canonical SMILES for (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium is CC(C)C[P+](Cc1ccc(C(=O)c2ccccc2)cc1)(CC(C)C)CC(C)C.
What is the InChIKey of (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium?
The InChIKey is JMLDHYQQRQJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38OP/c1-20(2)16-28(17-21(3)4,18-22(5)6)19-23-12-14-25(15-13-23)26(27)24-10-8-7-9-11-24/h7-15,20-22H,16-19H2,1-6H3/q+1.
What are the key properties of (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium?
(4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium has a molecular weight of 397.56 g/mol, XLogP of 7.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)methyl-tris(2-methylpropyl)phosphanium is sourced from PubChem (CID 57341479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).