[(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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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).