(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone

C22H16Cl3O5P — CID 70016069

IUPAC(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
SMILESCOc1ccc(Cl)c(OC)c1C(=O)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl3O5P/c1-29-17-12-11-16(25)20(30-2)19(17)22(27)31(28,13-7-4-3-5-8-13)21(26)18-14(23)9-6-10-15(18)24/h3-12H,1-2H3
InChIKeyZMOMGOAHSDFVIR-UHFFFAOYSA-N
MW497.70 g/mol
LogP6.33
Rot. Bonds7

About (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone

(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone (PubChem CID 70016069) has the molecular formula C22H16Cl3O5P and a molecular weight of 497.70 g/mol. Its IUPAC name is (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone.

Molecular Properties

Compound Name(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
PubChem CID70016069
Molecular FormulaC22H16Cl3O5P
Molecular Weight497.70 g/mol
Exact Mass495.98
IUPAC Name(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
SMILESCOc1ccc(Cl)c(OC)c1C(=O)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C22H16Cl3O5P/c1-29-17-12-11-16(25)20(30-2)19(17)22(27)31(28,13-7-4-3-5-8-13)21(26)18-14(23)9-6-10-15(18)24/h3-12H,1-2H3
InChIKeyZMOMGOAHSDFVIR-UHFFFAOYSA-N
XLogP6.33
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.70
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone?
The IUPAC name of (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone (CID 70016069) is (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone.
What is the SMILES notation for (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone?
The canonical SMILES for (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone is COc1ccc(Cl)c(OC)c1C(=O)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone?
The InChIKey is ZMOMGOAHSDFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3O5P/c1-29-17-12-11-16(25)20(30-2)19(17)22(27)31(28,13-7-4-3-5-8-13)21(26)18-14(23)9-6-10-15(18)24/h3-12H,1-2H3.
What are the key properties of (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone?
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone has a molecular weight of 497.70 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone is sourced from PubChem (CID 70016069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).