phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone

C20H12Cl3O3P — CID 141016789

IUPACphenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
SMILESO=C(c1ccccc1)P(=O)(C(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C20H12Cl3O3P/c21-15-11-12-16(22)18(23)17(15)20(25)27(26,14-9-5-2-6-10-14)19(24)13-7-3-1-4-8-13/h1-12H
InChIKeySMEUGMCDFXNMMV-UHFFFAOYSA-N
MW437.65 g/mol
LogP6.32
Rot. Bonds5

About phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone

phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone (PubChem CID 141016789) has the molecular formula C20H12Cl3O3P and a molecular weight of 437.65 g/mol. Its IUPAC name is phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone.

Molecular Properties

Compound Namephenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
PubChem CID141016789
Molecular FormulaC20H12Cl3O3P
Molecular Weight437.65 g/mol
Exact Mass435.96
IUPAC Namephenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
SMILESO=C(c1ccccc1)P(=O)(C(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C20H12Cl3O3P/c21-15-11-12-16(22)18(23)17(15)20(25)27(26,14-9-5-2-6-10-14)19(24)13-7-3-1-4-8-13/h1-12H
InChIKeySMEUGMCDFXNMMV-UHFFFAOYSA-N
XLogP6.32
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone
CID 90027519
(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
CID 18515173
[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19849616
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
CID 18514546
(2,3-dichloro-6-fluorophenyl)-phenylmethanone
CID 171366473
(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
CID 70015697
(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone
CID 22639250
(4-tert-butyl-2,6-dimethylphenyl)-[(3-chloro-2,6-dimethoxybenzoyl)-phenylphosphoryl]methanone
CID 70014948
diphenylphosphinothioyl(phenyl)methanone
CID 54293875
lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone
CID 173243395

Frequently Asked Questions

What is the IUPAC name of phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone?
The IUPAC name of phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone (CID 141016789) is phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone.
What is the SMILES notation for phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone?
The canonical SMILES for phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone is O=C(c1ccccc1)P(=O)(C(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone?
The InChIKey is SMEUGMCDFXNMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3O3P/c21-15-11-12-16(22)18(23)17(15)20(25)27(26,14-9-5-2-6-10-14)19(24)13-7-3-1-4-8-13/h1-12H.
What are the key properties of phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone?
phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone has a molecular weight of 437.65 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone is sourced from PubChem (CID 141016789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).