[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C20H22ClO3P — CID 90240714

IUPAC[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(Cl)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H22ClO3P/c1-11-7-13(3)17(14(4)8-11)19(22)25(21,24)20(23)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyNPWVMLLWGFMSMF-UHFFFAOYSA-N
MW376.82 g/mol
LogP6.03
Rot. Bonds4

About [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 90240714) has the molecular formula C20H22ClO3P and a molecular weight of 376.82 g/mol. Its IUPAC name is [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID90240714
Molecular FormulaC20H22ClO3P
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(Cl)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H22ClO3P/c1-11-7-13(3)17(14(4)8-11)19(22)25(21,24)20(23)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyNPWVMLLWGFMSMF-UHFFFAOYSA-N
XLogP6.03
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 56.03
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

lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
CID 175208689
bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 149399389
[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 125497314
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[butyl(pentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183541
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183894
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
CID 140911137
CID 140911137
[tert-butyl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183774

Frequently Asked Questions

What is the IUPAC name of [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 90240714) is [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(Cl)C(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is NPWVMLLWGFMSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClO3P/c1-11-7-13(3)17(14(4)8-11)19(22)25(21,24)20(23)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3.
What are the key properties of [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 376.82 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 90240714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).