diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone

C36H33O4P — CID 175015018

IUPACdiphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)C(O)c2ccccc2)c(C)c1.O=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15O2P.C17H18O2/c20-19(16-10-4-1-5-11-16)22(21,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-9-12(2)15(13(3)10-11)17(19)16(18)14-7-5-4-6-8-14/h1-15H;4-10,16,18H,1-3H3
InChIKeySKQGKUCZDOJLGU-UHFFFAOYSA-N
MW560.63 g/mol
LogP7.37
Rot. Bonds7

About diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone

diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 175015018) has the molecular formula C36H33O4P and a molecular weight of 560.63 g/mol. Its IUPAC name is diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Namediphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID175015018
Molecular FormulaC36H33O4P
Molecular Weight560.63 g/mol
Exact Mass560.21
IUPAC Namediphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)C(O)c2ccccc2)c(C)c1.O=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15O2P.C17H18O2/c20-19(16-10-4-1-5-11-16)22(21,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-9-12(2)15(13(3)10-11)17(19)16(18)14-7-5-4-6-8-14/h1-15H;4-10,16,18H,1-3H3
InChIKeySKQGKUCZDOJLGU-UHFFFAOYSA-N
XLogP7.37
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.63
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
CID 157152357
CID 157152357
diphenylphosphoryl-(3-methylphenyl)methanone
CID 57182272
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 91322259
2-hydroxy-1,2-diphenylethanone
CID 159399559
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[4-[3-bis(2,4,6-trimethylbenzoyl)phosphoryloxy-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 90252962
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600

Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone (CID 175015018) is diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)C(O)c2ccccc2)c(C)c1.O=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is SKQGKUCZDOJLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O2P.C17H18O2/c20-19(16-10-4-1-5-11-16)22(21,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-9-12(2)15(13(3)10-11)17(19)16(18)14-7-5-4-6-8-14/h1-15H;4-10,16,18H,1-3H3.
What are the key properties of diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone?
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 560.63 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 175015018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).