sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate

C23H22NaO6P — CID 23708345

IUPACsodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
SMILESCOc1ccc(OP(=O)([O-])Oc2cccc(C(=O)c3c(C)cc(C)cc3C)c2)cc1.[Na+]
InChIInChI=1S/C23H23O6P.Na/c1-15-12-16(2)22(17(3)13-15)23(24)18-6-5-7-21(14-18)29-30(25,26)28-20-10-8-19(27-4)9-11-20;/h5-14H,1-4H3,(H,25,26);/q;+1/p-1
InChIKeyRMTQGFCEMDKQLV-UHFFFAOYSA-M
MW448.39 g/mol
LogP1.78
Rot. Bonds7

About sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate

sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate (PubChem CID 23708345) has the molecular formula C23H22NaO6P and a molecular weight of 448.39 g/mol. Its IUPAC name is sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate.

Molecular Properties

Compound Namesodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
PubChem CID23708345
Molecular FormulaC23H22NaO6P
Molecular Weight448.39 g/mol
Exact Mass448.11
IUPAC Namesodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
SMILESCOc1ccc(OP(=O)([O-])Oc2cccc(C(=O)c3c(C)cc(C)cc3C)c2)cc1.[Na+]
InChIInChI=1S/C23H23O6P.Na/c1-15-12-16(2)22(17(3)13-15)23(24)18-6-5-7-21(14-18)29-30(25,26)28-20-10-8-19(27-4)9-11-20;/h5-14H,1-4H3,(H,25,26);/q;+1/p-1
InChIKeyRMTQGFCEMDKQLV-UHFFFAOYSA-M
XLogP1.78
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate 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

sodium (4-carbamoylphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
CID 23708480
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883266
sodium bis[3-[1-cyano-3-(4-methylphenyl)-3-oxopropyl]phenyl] phosphate
CID 158814496
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
tris[4-(2,4,6-trimethylbenzoyl)phenoxy] phosphate
CID 172553590
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
1-N-(4-methoxyphenyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109057390

Frequently Asked Questions

What is the IUPAC name of sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate?
The IUPAC name of sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate (CID 23708345) is sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate.
What is the SMILES notation for sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate?
The canonical SMILES for sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate is COc1ccc(OP(=O)([O-])Oc2cccc(C(=O)c3c(C)cc(C)cc3C)c2)cc1.[Na+].
What is the InChIKey of sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate?
The InChIKey is RMTQGFCEMDKQLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23O6P.Na/c1-15-12-16(2)22(17(3)13-15)23(24)18-6-5-7-21(14-18)29-30(25,26)28-20-10-8-19(27-4)9-11-20;/h5-14H,1-4H3,(H,25,26);/q;+1/p-1.
What are the key properties of sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate?
sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate has a molecular weight of 448.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate is sourced from PubChem (CID 23708345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).