(3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone

C22H21O3P — CID 57114457

IUPAC(3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P2(c3ccccc3)(c3ccccc3)OO2)c(C)c1
InChIInChI=1S/C22H21O3P/c1-16-14-17(2)21(18(3)15-16)22(23)26(24-25-26,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyDORKDWTXIRNUOX-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.75
Rot. Bonds4

About (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone

(3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 57114457) has the molecular formula C22H21O3P and a molecular weight of 364.38 g/mol. Its IUPAC name is (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID57114457
Molecular FormulaC22H21O3P
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name(3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P2(c3ccccc3)(c3ccccc3)OO2)c(C)c1
InChIInChI=1S/C22H21O3P/c1-16-14-17(2)21(18(3)15-16)22(23)26(24-25-26,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyDORKDWTXIRNUOX-UHFFFAOYSA-N
XLogP4.75
TPSA42.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone (CID 57114457) is (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P2(c3ccccc3)(c3ccccc3)OO2)c(C)c1.
What is the InChIKey of (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is DORKDWTXIRNUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O3P/c1-16-14-17(2)21(18(3)15-16)22(23)26(24-25-26,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3.
What are the key properties of (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone?
(3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 364.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyl-1,2,3λ5-dioxaphosphiran-3-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 57114457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).