bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone

C21H17Cl2O4P — CID 18400312

IUPACbis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone
SMILESCOc1ccc(P(=O)(C(=O)c2c(Cl)cccc2Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H17Cl2O4P/c1-26-14-6-10-16(11-7-14)28(25,17-12-8-15(27-2)9-13-17)21(24)20-18(22)4-3-5-19(20)23/h3-13H,1-2H3
InChIKeyIMZVRNIJXQWOCD-UHFFFAOYSA-N
MW435.24 g/mol
LogP5.16
Rot. Bonds6

About bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone

bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone (PubChem CID 18400312) has the molecular formula C21H17Cl2O4P and a molecular weight of 435.24 g/mol. Its IUPAC name is bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Namebis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone
PubChem CID18400312
Molecular FormulaC21H17Cl2O4P
Molecular Weight435.24 g/mol
Exact Mass434.02
IUPAC Namebis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone
SMILESCOc1ccc(P(=O)(C(=O)c2c(Cl)cccc2Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H17Cl2O4P/c1-26-14-6-10-16(11-7-14)28(25,17-12-8-15(27-2)9-13-17)21(24)20-18(22)4-3-5-19(20)23/h3-13H,1-2H3
InChIKeyIMZVRNIJXQWOCD-UHFFFAOYSA-N
XLogP5.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.24
LogP ≤ 55.16
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

[(4-chlorophenyl)-(2,6-dichlorobenzoyl)phosphoryl]-(2,6-dichlorophenyl)methanone
CID 19849616
1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 114268991
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 43334354
[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 159912845
(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 10957418
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone?
The IUPAC name of bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone (CID 18400312) is bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone?
The canonical SMILES for bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone is COc1ccc(P(=O)(C(=O)c2c(Cl)cccc2Cl)c2ccc(OC)cc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone?
The InChIKey is IMZVRNIJXQWOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2O4P/c1-26-14-6-10-16(11-7-14)28(25,17-12-8-15(27-2)9-13-17)21(24)20-18(22)4-3-5-19(20)23/h3-13H,1-2H3.
What are the key properties of bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone?
bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone has a molecular weight of 435.24 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 18400312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).