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

C23H17Cl4O3P — CID 14461414

IUPAC[(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone
SMILESCCCc1ccc(P(=O)(C(=O)c2c(Cl)cccc2Cl)C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H17Cl4O3P/c1-2-5-14-10-12-15(13-11-14)31(30,22(28)20-16(24)6-3-7-17(20)25)23(29)21-18(26)8-4-9-19(21)27/h3-4,6-13H,2,5H2,1H3
InChIKeyZEDSKTISNTXEQI-UHFFFAOYSA-N
MW514.17 g/mol
LogP7.92
Rot. Bonds7

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

[(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone (PubChem CID 14461414) has the molecular formula C23H17Cl4O3P and a molecular weight of 514.17 g/mol. Its IUPAC name is [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone
PubChem CID14461414
Molecular FormulaC23H17Cl4O3P
Molecular Weight514.17 g/mol
Exact Mass511.97
IUPAC Name[(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone
SMILESCCCc1ccc(P(=O)(C(=O)c2c(Cl)cccc2Cl)C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H17Cl4O3P/c1-2-5-14-10-12-15(13-11-14)31(30,22(28)20-16(24)6-3-7-17(20)25)23(29)21-18(26)8-4-9-19(21)27/h3-4,6-13H,2,5H2,1H3
InChIKeyZEDSKTISNTXEQI-UHFFFAOYSA-N
XLogP7.92
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.17
LogP ≤ 57.92
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
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-[Benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone
CID 174394659
2,6-Dichlorobenzoyl diphenylphosphine oxide
CID 10981649
(Phenylphosphoryl)bis[(2,6-dichlorophenyl)methanone]
CID 13668315
[(2,6-Dichlorobenzoyl)-(4-phenylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 13668323
[2-(2,4-Dichlorophenyl)-2-oxoethyl]-triphenylphosphanium chloride
CID 85997127

Frequently Asked Questions

What is the IUPAC name of [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone (CID 14461414) is [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone is CCCc1ccc(P(=O)(C(=O)c2c(Cl)cccc2Cl)C(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
The InChIKey is ZEDSKTISNTXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl4O3P/c1-2-5-14-10-12-15(13-11-14)31(30,22(28)20-16(24)6-3-7-17(20)25)23(29)21-18(26)8-4-9-19(21)27/h3-4,6-13H,2,5H2,1H3.
What are the key properties of [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone?
[(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone has a molecular weight of 514.17 g/mol, XLogP of 7.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dichlorobenzoyl)-(4-propylphenyl)phosphoryl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 14461414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).