oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium

C20H24O2P+ — CID 174439247

IUPACoxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)C(C)CCc2ccccc2)c(C)c1
InChIInChI=1S/C20H24O2P/c1-14-12-15(2)19(16(3)13-14)20(21)23(22)17(4)10-11-18-8-6-5-7-9-18/h5-9,12-13,17H,10-11H2,1-4H3/q+1
InChIKeyGZCXDSDPUFUJDA-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.60
Rot. Bonds6

About oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium

oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 174439247) has the molecular formula C20H24O2P+ and a molecular weight of 327.38 g/mol. Its IUPAC name is oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Nameoxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID174439247
Molecular FormulaC20H24O2P+
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameoxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)C(C)CCc2ccccc2)c(C)c1
InChIInChI=1S/C20H24O2P/c1-14-12-15(2)19(16(3)13-14)20(21)23(22)17(4)10-11-18-8-6-5-7-9-18/h5-9,12-13,17H,10-11H2,1-4H3/q+1
InChIKeyGZCXDSDPUFUJDA-UHFFFAOYSA-N
XLogP5.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 68515093
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
2-methyl-4-phenylbutanoic acid
CID 66896591
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
5-methylbenzene-1,3-dicarboxylic acid;1-phenylhexan-3-ol
CID 174750919
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154266689
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 100745155
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974

Frequently Asked Questions

What is the IUPAC name of oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium (CID 174439247) is oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium is Cc1cc(C)c(C(=O)[P+](=O)C(C)CCc2ccccc2)c(C)c1.
What is the InChIKey of oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is GZCXDSDPUFUJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2P/c1-14-12-15(2)19(16(3)13-14)20(21)23(22)17(4)10-11-18-8-6-5-7-9-18/h5-9,12-13,17H,10-11H2,1-4H3/q+1.
What are the key properties of oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium?
oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 327.38 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 174439247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).