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

C24H19Cl4O3P — CID 71434765

IUPAC[(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
SMILESCCCCc1ccccc1P(=O)(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H19Cl4O3P/c1-2-3-8-15-9-4-5-14-20(15)32(31,23(29)21-16(25)10-6-11-17(21)26)24(30)22-18(27)12-7-13-19(22)28/h4-7,9-14H,2-3,8H2,1H3
InChIKeyCSKDCPLUTPDYBN-UHFFFAOYSA-N
MW528.20 g/mol
LogP8.31
Rot. Bonds8

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

[(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone (PubChem CID 71434765) has the molecular formula C24H19Cl4O3P and a molecular weight of 528.20 g/mol. Its IUPAC name is [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
PubChem CID71434765
Molecular FormulaC24H19Cl4O3P
Molecular Weight528.20 g/mol
Exact Mass525.98
IUPAC Name[(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
SMILESCCCCc1ccccc1P(=O)(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H19Cl4O3P/c1-2-3-8-15-9-4-5-14-20(15)32(31,23(29)21-16(25)10-6-11-17(21)26)24(30)22-18(27)12-7-13-19(22)28/h4-7,9-14H,2-3,8H2,1H3
InChIKeyCSKDCPLUTPDYBN-UHFFFAOYSA-N
XLogP8.31
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.20
LogP ≤ 58.31
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

azane;1-butyl-2-chlorobenzene
CID 19011342
(2-heptadecylphenyl)phosphonic acid
CID 23434842
1-[chloro-(2-heptylphenyl)phosphoryl]-2-heptylbenzene
CID 156694182
1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene
CID 141046812
[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane
CID 139438356
[benzyl(octyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19758100
1-butyl-2-chloro-3-ethylbenzene
CID 139904751
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19849616
3-butylbenzene-1,2-dicarbonyl chloride
CID 18925831
2,6-dichloro-N-[(2-propylphenyl)carbamoyl]benzamide
CID 21197441

Frequently Asked Questions

What is the IUPAC name of [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone (CID 71434765) is [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone is CCCCc1ccccc1P(=O)(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The InChIKey is CSKDCPLUTPDYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl4O3P/c1-2-3-8-15-9-4-5-14-20(15)32(31,23(29)21-16(25)10-6-11-17(21)26)24(30)22-18(27)12-7-13-19(22)28/h4-7,9-14H,2-3,8H2,1H3.
What are the key properties of [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
[(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone has a molecular weight of 528.20 g/mol, XLogP of 8.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-butylphenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 71434765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).