2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium

C36H38O5P+ — CID 163211696

IUPAC2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium
SMILESCC(C)(O)C(=O)c1ccccc1.Cc1cc(C)c(C(=O)[P+](=O)C(=O)c2c(C)cc(C)c(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C26H26O3P.C10H12O2/c1-15-12-16(2)22(17(3)13-15)25(27)30(29)26(28)24-19(5)14-18(4)23(20(24)6)21-10-8-7-9-11-21;1-10(2,12)9(11)8-6-4-3-5-7-8/h7-14H,1-6H3;3-7,12H,1-2H3/q+1;
InChIKeyKDCBYWZMHDQKLK-UHFFFAOYSA-N
MW581.67 g/mol
LogP8.65
Rot. Bonds7

About 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium

2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium (PubChem CID 163211696) has the molecular formula C36H38O5P+ and a molecular weight of 581.67 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium
PubChem CID163211696
Molecular FormulaC36H38O5P+
Molecular Weight581.67 g/mol
Exact Mass581.25
IUPAC Name2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium
SMILESCC(C)(O)C(=O)c1ccccc1.Cc1cc(C)c(C(=O)[P+](=O)C(=O)c2c(C)cc(C)c(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C26H26O3P.C10H12O2/c1-15-12-16(2)22(17(3)13-15)25(27)30(29)26(28)24-19(5)14-18(4)23(20(24)6)21-10-8-7-9-11-21;1-10(2,12)9(11)8-6-4-3-5-7-8/h7-14H,1-6H3;3-7,12H,1-2H3/q+1;
InChIKeyKDCBYWZMHDQKLK-UHFFFAOYSA-N
XLogP8.65
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.67
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-methyl-1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
CID 15629610
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 141294399
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
1-(3,5-dimethyl-2-phenylphenyl)sulfanyl-3,5-dimethyl-2-phenylbenzene
CID 141085146
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
3-[3-(3-carboxyphenyl)-5-methylphenyl]benzoic acid
CID 163197733

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium?
The IUPAC name of 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium (CID 163211696) is 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium.
What is the SMILES notation for 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium?
The canonical SMILES for 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium is CC(C)(O)C(=O)c1ccccc1.Cc1cc(C)c(C(=O)[P+](=O)C(=O)c2c(C)cc(C)c(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium?
The InChIKey is KDCBYWZMHDQKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3P.C10H12O2/c1-15-12-16(2)22(17(3)13-15)25(27)30(29)26(28)24-19(5)14-18(4)23(20(24)6)21-10-8-7-9-11-21;1-10(2,12)9(11)8-6-4-3-5-7-8/h7-14H,1-6H3;3-7,12H,1-2H3/q+1;.
What are the key properties of 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium?
2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium has a molecular weight of 581.67 g/mol, XLogP of 8.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-phenylpropan-1-one;oxo-(2,4,6-trimethylbenzoyl)-(2,4,6-trimethyl-3-phenylbenzoyl)phosphanium is sourced from PubChem (CID 163211696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).