sodium;4-ethylphenol;sulfuric acid

C8H11NaO5S — CID 175416212

IUPACsodium;4-ethylphenol;sulfuric acid
SMILESO=S(=O)(O)O.[CH2-]Cc1ccc(O)cc1.[Na+]
InChIInChI=1S/C8H9O.Na.H2O4S/c1-2-7-3-5-8(9)6-4-7;;1-5(2,3)4/h3-6,9H,1-2H2;;(H2,1,2,3,4)/q-1;+1;
InChIKeyLACLRDOBZWDYSY-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.88
Rot. Bonds1

About sodium;4-ethylphenol;sulfuric acid

sodium;4-ethylphenol;sulfuric acid (PubChem CID 175416212) has the molecular formula C8H11NaO5S and a molecular weight of 242.23 g/mol. Its IUPAC name is sodium;4-ethylphenol;sulfuric acid.

Molecular Properties

Compound Namesodium;4-ethylphenol;sulfuric acid
PubChem CID175416212
Molecular FormulaC8H11NaO5S
Molecular Weight242.23 g/mol
Exact Mass242.02
IUPAC Namesodium;4-ethylphenol;sulfuric acid
SMILESO=S(=O)(O)O.[CH2-]Cc1ccc(O)cc1.[Na+]
InChIInChI=1S/C8H9O.Na.H2O4S/c1-2-7-3-5-8(9)6-4-7;;1-5(2,3)4/h3-6,9H,1-2H2;;(H2,1,2,3,4)/q-1;+1;
InChIKeyLACLRDOBZWDYSY-UHFFFAOYSA-N
XLogP-1.88
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;4-ethylphenol;sulfuric acid 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-(4-hydroxyphenyl)acetamide;sulfuric acid
CID 155147372
2-(4-hydroxyphenyl)-1-oxoethanesulfonic acid
CID 57056541
benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid
CID 70560755
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfuric acid;hydrofluoride
CID 175411627
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
2-(4-hydroxyphenyl)ethanesulfonyl iodide
CID 155006833
ethane;4-ethylphenol;N-(4-hydroxyphenyl)acetamide;methane;4-methanidylphenol;yttrium
CID 157495390
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
disodium;benzene-1,4-diol;hydride
CID 173178650
ethane-1,2-diamine;phenol;sulfuric acid
CID 70504125

Frequently Asked Questions

What is the IUPAC name of sodium;4-ethylphenol;sulfuric acid?
The IUPAC name of sodium;4-ethylphenol;sulfuric acid (CID 175416212) is sodium;4-ethylphenol;sulfuric acid.
What is the SMILES notation for sodium;4-ethylphenol;sulfuric acid?
The canonical SMILES for sodium;4-ethylphenol;sulfuric acid is O=S(=O)(O)O.[CH2-]Cc1ccc(O)cc1.[Na+].
What is the InChIKey of sodium;4-ethylphenol;sulfuric acid?
The InChIKey is LACLRDOBZWDYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Na.H2O4S/c1-2-7-3-5-8(9)6-4-7;;1-5(2,3)4/h3-6,9H,1-2H2;;(H2,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;4-ethylphenol;sulfuric acid?
sodium;4-ethylphenol;sulfuric acid has a molecular weight of 242.23 g/mol, XLogP of -1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-ethylphenol;sulfuric acid is sourced from PubChem (CID 175416212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).