[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium

C22H22Cl2O5P+ — CID 173195007

IUPAC[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)C1(C(=O)c2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C22H22Cl2O5P/c1-28-16-10-7-11-17(29-2)19(16)21(26)30(27)22(12-4-3-5-13-22)20(25)18-14(23)8-6-9-15(18)24/h6-11H,3-5,12-13H2,1-2H3/q+1
InChIKeyJNWXXFOOTUDRGA-UHFFFAOYSA-N
MW468.29 g/mol
LogP6.56
Rot. Bonds7

About [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium

[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium (PubChem CID 173195007) has the molecular formula C22H22Cl2O5P+ and a molecular weight of 468.29 g/mol. Its IUPAC name is [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium.

Molecular Properties

Compound Name[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
PubChem CID173195007
Molecular FormulaC22H22Cl2O5P+
Molecular Weight468.29 g/mol
Exact Mass467.06
IUPAC Name[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
SMILESCOc1cccc(OC)c1C(=O)[P+](=O)C1(C(=O)c2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C22H22Cl2O5P/c1-28-16-10-7-11-17(29-2)19(16)21(26)30(27)22(12-4-3-5-13-22)20(25)18-14(23)8-6-9-15(18)24/h6-11H,3-5,12-13H2,1-2H3/q+1
InChIKeyJNWXXFOOTUDRGA-UHFFFAOYSA-N
XLogP6.56
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.29
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium 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

(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
CID 173194952
[1-[2,6-bis(trifluoromethyl)benzoyl]cyclopentyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173194985
[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
CID 173194926
(1-aminocyclopropyl)-(2-chloro-6-methoxyphenyl)methanone
CID 130730363
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173194976
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine
CID 135075756

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium?
The IUPAC name of [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium (CID 173195007) is [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium.
What is the SMILES notation for [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium?
The canonical SMILES for [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium is COc1cccc(OC)c1C(=O)[P+](=O)C1(C(=O)c2c(Cl)cccc2Cl)CCCCC1.
What is the InChIKey of [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium?
The InChIKey is JNWXXFOOTUDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2O5P/c1-28-16-10-7-11-17(29-2)19(16)21(26)30(27)22(12-4-3-5-13-22)20(25)18-14(23)8-6-9-15(18)24/h6-11H,3-5,12-13H2,1-2H3/q+1.
What are the key properties of [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium?
[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium has a molecular weight of 468.29 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium is sourced from PubChem (CID 173195007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).