[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

C24H21Cl2O7P — CID 159912845

IUPAC[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C(=O)c1c(OC)cccc1OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H21Cl2O7P/c1-30-16-10-6-11-17(31-2)20(16)23(27)34(29,22-14(25)8-5-9-15(22)26)24(28)21-18(32-3)12-7-13-19(21)33-4/h5-13H,1-4H3
InChIKeyNXJZYEGYNJOCEG-UHFFFAOYSA-N
MW523.31 g/mol
LogP5.70
Rot. Bonds9

About [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 159912845) has the molecular formula C24H21Cl2O7P and a molecular weight of 523.31 g/mol. Its IUPAC name is [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID159912845
Molecular FormulaC24H21Cl2O7P
Molecular Weight523.31 g/mol
Exact Mass522.04
IUPAC Name[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C(=O)c1c(OC)cccc1OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H21Cl2O7P/c1-30-16-10-6-11-17(31-2)20(16)23(27)34(29,22-14(25)8-5-9-15(22)26)24(28)21-18(32-3)12-7-13-19(21)33-4/h5-13H,1-4H3
InChIKeyNXJZYEGYNJOCEG-UHFFFAOYSA-N
XLogP5.70
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.31
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
CID 70015697
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
bis(2,6-dimethoxybenzoyl)phosphinothioyl-(2,6-dimethoxyphenyl)methanone
CID 54513060
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
2-bis(2,6-dimethoxybenzoyl)phosphorylacetic acid
CID 66769792
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(2,6-dichlorophenyl) N-(2,6-dimethoxybenzoyl)carbamate
CID 2800092
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
CID 106892085

Frequently Asked Questions

What is the IUPAC name of [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 159912845) is [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)P(=O)(C(=O)c1c(OC)cccc1OC)c1c(Cl)cccc1Cl.
What is the InChIKey of [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is NXJZYEGYNJOCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2O7P/c1-30-16-10-6-11-17(31-2)20(16)23(27)34(29,22-14(25)8-5-9-15(22)26)24(28)21-18(32-3)12-7-13-19(21)33-4/h5-13H,1-4H3.
What are the key properties of [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 523.31 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dichlorophenyl)-(2,6-dimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 159912845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).