2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium

C26H30O3P+ — CID 157077671

IUPAC2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCC(C)(O)Cc1ccccc1.Cc1cc(C)c(C(=O)[P+](=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H16O2P.C10H14O/c1-11-9-12(2)15(13(3)10-11)16(17)19(18)14-7-5-4-6-8-14;1-10(2,11)8-9-6-4-3-5-7-9/h4-10H,1-3H3;3-7,11H,8H2,1-2H3/q+1;
InChIKeyFEMBXYOUVHVOOK-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.90
Rot. Bonds5

About 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium

2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 157077671) has the molecular formula C26H30O3P+ and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Name2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID157077671
Molecular FormulaC26H30O3P+
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCC(C)(O)Cc1ccccc1.Cc1cc(C)c(C(=O)[P+](=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H16O2P.C10H14O/c1-11-9-12(2)15(13(3)10-11)16(17)19(18)14-7-5-4-6-8-14;1-10(2,11)8-9-6-4-3-5-7-9/h4-10H,1-3H3;3-7,11H,8H2,1-2H3/q+1;
InChIKeyFEMBXYOUVHVOOK-UHFFFAOYSA-N
XLogP5.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylbenzoyl)-oxo-phenylphosphanium
CID 67176585
oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
CID 141016786
oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 174439247
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 18432056
oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
CID 91323174
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium
CID 174384218
1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 68515093
[benzyl(2,4,4-trimethylpentyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154395380
oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 141294399
2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium
CID 163211696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium (CID 157077671) is 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium is CC(C)(O)Cc1ccccc1.Cc1cc(C)c(C(=O)[P+](=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is FEMBXYOUVHVOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2P.C10H14O/c1-11-9-12(2)15(13(3)10-11)16(17)19(18)14-7-5-4-6-8-14;1-10(2,11)8-9-6-4-3-5-7-9/h4-10H,1-3H3;3-7,11H,8H2,1-2H3/q+1;.
What are the key properties of 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium?
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 421.50 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 157077671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).