trihydroxy-(2,3,4-triethylphenyl)phosphanium

C12H20O3P+ — CID 172689014

IUPACtrihydroxy-(2,3,4-triethylphenyl)phosphanium
SMILESCCc1ccc([P+](O)(O)O)c(CC)c1CC
InChIInChI=1S/C12H20O3P/c1-4-9-7-8-12(16(13,14)15)11(6-3)10(9)5-2/h7-8,13-15H,4-6H2,1-3H3/q+1
InChIKeyHPCLPYKHVLNNER-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.74
Rot. Bonds4

About trihydroxy-(2,3,4-triethylphenyl)phosphanium

trihydroxy-(2,3,4-triethylphenyl)phosphanium (PubChem CID 172689014) has the molecular formula C12H20O3P+ and a molecular weight of 243.26 g/mol. Its IUPAC name is trihydroxy-(2,3,4-triethylphenyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(2,3,4-triethylphenyl)phosphanium
PubChem CID172689014
Molecular FormulaC12H20O3P+
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nametrihydroxy-(2,3,4-triethylphenyl)phosphanium
SMILESCCc1ccc([P+](O)(O)O)c(CC)c1CC
InChIInChI=1S/C12H20O3P/c1-4-9-7-8-12(16(13,14)15)11(6-3)10(9)5-2/h7-8,13-15H,4-6H2,1-3H3/q+1
InChIKeyHPCLPYKHVLNNER-UHFFFAOYSA-N
XLogP1.74
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-(2,3,4-triethylphenyl)phosphanium?
The IUPAC name of trihydroxy-(2,3,4-triethylphenyl)phosphanium (CID 172689014) is trihydroxy-(2,3,4-triethylphenyl)phosphanium.
What is the SMILES notation for trihydroxy-(2,3,4-triethylphenyl)phosphanium?
The canonical SMILES for trihydroxy-(2,3,4-triethylphenyl)phosphanium is CCc1ccc([P+](O)(O)O)c(CC)c1CC.
What is the InChIKey of trihydroxy-(2,3,4-triethylphenyl)phosphanium?
The InChIKey is HPCLPYKHVLNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3P/c1-4-9-7-8-12(16(13,14)15)11(6-3)10(9)5-2/h7-8,13-15H,4-6H2,1-3H3/q+1.
What are the key properties of trihydroxy-(2,3,4-triethylphenyl)phosphanium?
trihydroxy-(2,3,4-triethylphenyl)phosphanium has a molecular weight of 243.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2,3,4-triethylphenyl)phosphanium is sourced from PubChem (CID 172689014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).