[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone

C20H10Cl5O3P — CID 19849616

IUPAC[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H10Cl5O3P/c21-11-7-9-12(10-8-11)29(28,19(26)17-13(22)3-1-4-14(17)23)20(27)18-15(24)5-2-6-16(18)25/h1-10H
InChIKeyVSCYSXBQCDNELJ-UHFFFAOYSA-N
MW506.54 g/mol
LogP7.62
Rot. Bonds5

About [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone

[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone (PubChem CID 19849616) has the molecular formula C20H10Cl5O3P and a molecular weight of 506.54 g/mol. Its IUPAC name is [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
PubChem CID19849616
Molecular FormulaC20H10Cl5O3P
Molecular Weight506.54 g/mol
Exact Mass503.88
IUPAC Name[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C20H10Cl5O3P/c21-11-7-9-12(10-8-11)29(28,19(26)17-13(22)3-1-4-14(17)23)20(27)18-15(24)5-2-6-16(18)25/h1-10H
InChIKeyVSCYSXBQCDNELJ-UHFFFAOYSA-N
XLogP7.62
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 57.62
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

(E)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 52943208
(E)-1-(2,6-dichlorophenyl)-3-phenylprop-2-en-1-one
CID 9835308
(Z)-3-(2,4-dichlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 76331708
[(4-Propylphenyl)phosphoryl]bis[(2,6-dichlorophenyl)methanone]
CID 14461414
Phosphine oxide, (butylphenyl)bis(2,6-dichlorobenzoyl)-
CID 71434765
2,2',6,6'-Tetrachlorochalcone
CID 66865602
1-(4-Chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one
CID 102265043
[2,6-Bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone
CID 18513747
[2,6-Bis(trifluoromethyl)phenyl]-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 18514010
[2,6-Bis(trifluoromethyl)phenyl]-[(2,6-dichloro-3-methylbenzoyl)-phenylphosphoryl]methanone
CID 88107548
[2-[2,6-Bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium
CID 173244721
[2,6-Bis(trifluoromethyl)benzoyl]-[2-(2,6-dichlorobenzoyl)phenyl]-oxophosphanium
CID 173245323

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone (CID 19849616) is [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone is O=C(c1c(Cl)cccc1Cl)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The InChIKey is VSCYSXBQCDNELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl5O3P/c21-11-7-9-12(10-8-11)29(28,19(26)17-13(22)3-1-4-14(17)23)20(27)18-15(24)5-2-6-16(18)25/h1-10H.
What are the key properties of [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone has a molecular weight of 506.54 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 19849616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).