[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane

C17H14Cl4O4P2 — CID 139438356

IUPAC[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane
SMILESCCCP(=O)(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl.O=P
InChIInChI=1S/C17H13Cl4O3P.HOP/c1-2-9-25(24,16(22)14-10(18)5-3-6-11(14)19)17(23)15-12(20)7-4-8-13(15)21;1-2/h3-8H,2,9H2,1H3;2H
InChIKeyCZWZHXJZCFQGDN-UHFFFAOYSA-N
MW486.06 g/mol
LogP7.53
Rot. Bonds6

About [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane

[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane (PubChem CID 139438356) has the molecular formula C17H14Cl4O4P2 and a molecular weight of 486.06 g/mol. Its IUPAC name is [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane.

Molecular Properties

Compound Name[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane
PubChem CID139438356
Molecular FormulaC17H14Cl4O4P2
Molecular Weight486.06 g/mol
Exact Mass483.91
IUPAC Name[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane
SMILESCCCP(=O)(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl.O=P
InChIInChI=1S/C17H13Cl4O3P.HOP/c1-2-9-25(24,16(22)14-10(18)5-3-6-11(14)19)17(23)15-12(20)7-4-8-13(15)21;1-2/h3-8H,2,9H2,1H3;2H
InChIKeyCZWZHXJZCFQGDN-UHFFFAOYSA-N
XLogP7.53
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.06
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
[benzyl(octyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19758100
[(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 71434765
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19849616
1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
(2,6-dimethylphenyl)-[2-methylpropyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone
CID 22183187
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 22183425
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782

Frequently Asked Questions

What is the IUPAC name of [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane?
The IUPAC name of [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane (CID 139438356) is [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane.
What is the SMILES notation for [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane?
The canonical SMILES for [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane is CCCP(=O)(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl.O=P.
What is the InChIKey of [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane?
The InChIKey is CZWZHXJZCFQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl4O3P.HOP/c1-2-9-25(24,16(22)14-10(18)5-3-6-11(14)19)17(23)15-12(20)7-4-8-13(15)21;1-2/h3-8H,2,9H2,1H3;2H.
What are the key properties of [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane?
[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane has a molecular weight of 486.06 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane is sourced from PubChem (CID 139438356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).