[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone

C22H23Cl4O2P — CID 134205727

IUPAC[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone
SMILESCC(CP(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl)CC(C)(C)C
InChIInChI=1S/C22H23Cl4O2P/c1-13(11-22(2,3)4)12-29(20(27)18-14(23)7-5-8-15(18)24)21(28)19-16(25)9-6-10-17(19)26/h5-10,13H,11-12H2,1-4H3
InChIKeyBPHPHQVCFNSIPI-UHFFFAOYSA-N
MW492.21 g/mol
LogP8.84
Rot. Bonds7

About [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone

[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone (PubChem CID 134205727) has the molecular formula C22H23Cl4O2P and a molecular weight of 492.21 g/mol. Its IUPAC name is [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone
PubChem CID134205727
Molecular FormulaC22H23Cl4O2P
Molecular Weight492.21 g/mol
Exact Mass490.02
IUPAC Name[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone
SMILESCC(CP(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl)CC(C)(C)C
InChIInChI=1S/C22H23Cl4O2P/c1-13(11-22(2,3)4)12-29(20(27)18-14(23)7-5-8-15(18)24)21(28)19-16(25)9-6-10-17(19)26/h5-10,13H,11-12H2,1-4H3
InChIKeyBPHPHQVCFNSIPI-UHFFFAOYSA-N
XLogP8.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.21
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone
CID 18514057
(2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
CID 141022998
1-(2-chloro-6-methylphenyl)-3,5,5-trimethyl-2-phosphanylhexan-1-one
CID 174476907
[benzyl(2,4,4-trimethylpentyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154395380
2,4,4-trimethylpentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18514795
1-(3-chlorophenyl)-2-deuterio-2,4,4-trimethylpentan-1-one
CID 153145267
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
1-(2,6-dichlorophenyl)-2-methylpentane-1,4-dione
CID 64706690
lithium (2,3,5,6-tetrachlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 141023037
[3-(3,5,5-trimethylhexanoyloxy)phenyl] 3,5,5-trimethylhexanoate
CID 73426539
lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 141022766
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754

Frequently Asked Questions

What is the IUPAC name of [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone (CID 134205727) is [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone is CC(CP(C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(Cl)cccc1Cl)CC(C)(C)C.
What is the InChIKey of [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone?
The InChIKey is BPHPHQVCFNSIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl4O2P/c1-13(11-22(2,3)4)12-29(20(27)18-14(23)7-5-8-15(18)24)21(28)19-16(25)9-6-10-17(19)26/h5-10,13H,11-12H2,1-4H3.
What are the key properties of [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone?
[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone has a molecular weight of 492.21 g/mol, XLogP of 8.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 134205727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).