(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium

C24H28O7P+ — CID 173194952

IUPAC(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
SMILESCOc1ccc(C(=O)C2([P+](=O)C(=O)c3c(OC)cccc3OC)CCCCC2)c(OC)c1
InChIInChI=1S/C24H28O7P/c1-28-16-11-12-17(20(15-16)31-4)22(25)24(13-6-5-7-14-24)32(27)23(26)21-18(29-2)9-8-10-19(21)30-3/h8-12,15H,5-7,13-14H2,1-4H3/q+1
InChIKeyIVFMKVKBDSMVRZ-UHFFFAOYSA-N
MW459.46 g/mol
LogP5.27
Rot. Bonds9

About (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium

(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium (PubChem CID 173194952) has the molecular formula C24H28O7P+ and a molecular weight of 459.46 g/mol. Its IUPAC name is (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium.

Molecular Properties

Compound Name(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
PubChem CID173194952
Molecular FormulaC24H28O7P+
Molecular Weight459.46 g/mol
Exact Mass459.16
IUPAC Name(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
SMILESCOc1ccc(C(=O)C2([P+](=O)C(=O)c3c(OC)cccc3OC)CCCCC2)c(OC)c1
InChIInChI=1S/C24H28O7P/c1-28-16-11-12-17(20(15-16)31-4)22(25)24(13-6-5-7-14-24)32(27)23(26)21-18(29-2)9-8-10-19(21)30-3/h8-12,15H,5-7,13-14H2,1-4H3/q+1
InChIKeyIVFMKVKBDSMVRZ-UHFFFAOYSA-N
XLogP5.27
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-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

(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173195008
[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173195007
[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
CID 173194926
[1-[2,6-bis(trifluoromethyl)benzoyl]cyclopentyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173194985
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173194976
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium?
The IUPAC name of (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium (CID 173194952) is (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium.
What is the SMILES notation for (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium?
The canonical SMILES for (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium is COc1ccc(C(=O)C2([P+](=O)C(=O)c3c(OC)cccc3OC)CCCCC2)c(OC)c1.
What is the InChIKey of (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium?
The InChIKey is IVFMKVKBDSMVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O7P/c1-28-16-11-12-17(20(15-16)31-4)22(25)24(13-6-5-7-14-24)32(27)23(26)21-18(29-2)9-8-10-19(21)30-3/h8-12,15H,5-7,13-14H2,1-4H3/q+1.
What are the key properties of (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium?
(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium has a molecular weight of 459.46 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium is sourced from PubChem (CID 173194952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).