1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium

C24H24O3P+ — CID 68515093

IUPAC1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)OC(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H24O3P/c1-17-14-18(2)23(19(3)15-17)24(25)28(26)27-22(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-15,22H,16H2,1-3H3/q+1
InChIKeyLDQRHKMTBFZPEJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP6.50
Rot. Bonds7

About 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium

1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 68515093) has the molecular formula C24H24O3P+ and a molecular weight of 391.43 g/mol. Its IUPAC name is 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Name1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID68515093
Molecular FormulaC24H24O3P+
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)OC(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H24O3P/c1-17-14-18(2)23(19(3)15-17)24(25)28(26)27-22(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-15,22H,16H2,1-3H3/q+1
InChIKeyLDQRHKMTBFZPEJ-UHFFFAOYSA-N
XLogP6.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.50
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

bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 174439247
[3-methyl-1-oxo-1-(2,4,6-trimethylphenyl)butan-2-yl] 2-methyl-3-phenylpropanoate
CID 174387260
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide
CID 11057332
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
(2,6-dimethoxybenzoyl)-oxo-[4-oxo-2-phenyl-3-(2,4,6-trimethylbenzoyl)-4-(2,4,6-trimethylphenyl)butyl]phosphanium
CID 172770545
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
1-phenylpropyl 2-phenylacetate
CID 59360641

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium (CID 68515093) is 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium is Cc1cc(C)c(C(=O)[P+](=O)OC(Cc2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is LDQRHKMTBFZPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3P/c1-17-14-18(2)23(19(3)15-17)24(25)28(26)27-22(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-15,22H,16H2,1-3H3/q+1.
What are the key properties of 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 391.43 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 68515093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).