sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate

C23H24NaO5P — CID 23696469

IUPACsodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate
SMILESCOc1c(C)cc(CCc2ccc(OP(=O)([O-])Oc3ccccc3)cc2)cc1C.[Na+]
InChIInChI=1S/C23H25O5P.Na/c1-17-15-20(16-18(2)23(17)26-3)10-9-19-11-13-22(14-12-19)28-29(24,25)27-21-7-5-4-6-8-21;/h4-8,11-16H,9-10H2,1-3H3,(H,24,25);/q;+1/p-1
InChIKeyOETVUQVNLCXRAJ-UHFFFAOYSA-M
MW434.40 g/mol
LogP2.03
Rot. Bonds8

About sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate

sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate (PubChem CID 23696469) has the molecular formula C23H24NaO5P and a molecular weight of 434.40 g/mol. Its IUPAC name is sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate.

Molecular Properties

Compound Namesodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate
PubChem CID23696469
Molecular FormulaC23H24NaO5P
Molecular Weight434.40 g/mol
Exact Mass434.13
IUPAC Namesodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate
SMILESCOc1c(C)cc(CCc2ccc(OP(=O)([O-])Oc3ccccc3)cc2)cc1C.[Na+]
InChIInChI=1S/C23H25O5P.Na/c1-17-15-20(16-18(2)23(17)26-3)10-9-19-11-13-22(14-12-19)28-29(24,25)27-21-7-5-4-6-8-21;/h4-8,11-16H,9-10H2,1-3H3,(H,24,25);/q;+1/p-1
InChIKeyOETVUQVNLCXRAJ-UHFFFAOYSA-M
XLogP2.03
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] 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

[4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2,6-dimethylphenyl] phenyl hydrogen phosphate
CID 158655714
sodium (2,6-dimethylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate
CID 23708462
cesium diphenyl phosphate
CID 23664598
sodium [4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]phenyl] phenyl phosphate
CID 23702042
sodium 4-methylpentyl [4-(2-phenylethyl)phenyl] phosphate
CID 23696500
sodium [4-[3-(3-acetamidophenyl)-3-oxopropyl]phenyl] phenyl phosphate
CID 23708370
sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
CID 23708345
(4-chlorophenyl) phenyl phosphate
CID 71363636
sodium [3-[3-oxo-3-(2,4,6-trimethoxyphenyl)propyl]phenyl] phenyl phosphate
CID 23708476
5-(bromomethyl)-2-methoxy-1,3-dimethylbenzene;triphenylphosphane
CID 122359838
(2,3-dimethylphenyl) phenyl phosphate
CID 21201140
ethyl [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2,6-dimethylphenyl] hydrogen phosphate
CID 21401976

Frequently Asked Questions

What is the IUPAC name of sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate?
The IUPAC name of sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate (CID 23696469) is sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate.
What is the SMILES notation for sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate?
The canonical SMILES for sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate is COc1c(C)cc(CCc2ccc(OP(=O)([O-])Oc3ccccc3)cc2)cc1C.[Na+].
What is the InChIKey of sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate?
The InChIKey is OETVUQVNLCXRAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25O5P.Na/c1-17-15-20(16-18(2)23(17)26-3)10-9-19-11-13-22(14-12-19)28-29(24,25)27-21-7-5-4-6-8-21;/h4-8,11-16H,9-10H2,1-3H3,(H,24,25);/q;+1/p-1.
What are the key properties of sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate?
sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate has a molecular weight of 434.40 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]phenyl] phenyl phosphate is sourced from PubChem (CID 23696469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).