(2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone

C22H16Cl3O4P — CID 70141712

IUPAC(2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone
SMILESCOc1cccc(OC)c1C(=O)P(C(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl3O4P/c1-28-17-9-6-10-18(29-2)20(17)22(27)30(14-7-4-3-5-8-14)21(26)19-15(24)11-13(23)12-16(19)25/h3-12H,1-2H3
InChIKeyVZGSSWWZHZYQJP-UHFFFAOYSA-N
MW481.70 g/mol
LogP6.45
Rot. Bonds7

About (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone

(2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone (PubChem CID 70141712) has the molecular formula C22H16Cl3O4P and a molecular weight of 481.70 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone
PubChem CID70141712
Molecular FormulaC22H16Cl3O4P
Molecular Weight481.70 g/mol
Exact Mass479.99
IUPAC Name(2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone
SMILESCOc1cccc(OC)c1C(=O)P(C(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl3O4P/c1-28-17-9-6-10-18(29-2)20(17)22(27)30(14-7-4-3-5-8-14)21(26)19-15(24)11-13(23)12-16(19)25/h3-12H,1-2H3
InChIKeyVZGSSWWZHZYQJP-UHFFFAOYSA-N
XLogP6.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.70
LogP ≤ 56.45
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

(2,6-dimethoxyphenyl)-diphenylphosphanylmethanone;hydrate
CID 172856957
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
2,4-dichloro-6-methoxybenzamide
CID 118588801
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
CID 105349407
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
CID 141016646
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone
CID 174477008
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone (CID 70141712) is (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone is COc1cccc(OC)c1C(=O)P(C(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone?
The InChIKey is VZGSSWWZHZYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3O4P/c1-28-17-9-6-10-18(29-2)20(17)22(27)30(14-7-4-3-5-8-14)21(26)19-15(24)11-13(23)12-16(19)25/h3-12H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone?
(2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone has a molecular weight of 481.70 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[phenyl-(2,4,6-trichlorobenzoyl)phosphanyl]methanone is sourced from PubChem (CID 70141712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).