trihydroxy-(2,4,6-trimethylphenyl)phosphanium

C9H14O3P+ — CID 67570561

IUPACtrihydroxy-(2,4,6-trimethylphenyl)phosphanium
SMILESCc1cc(C)c([P+](O)(O)O)c(C)c1
InChIInChI=1S/C9H14O3P/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5,10-12H,1-3H3/q+1
InChIKeyAUDSWLZDFFOYJD-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.98
Rot. Bonds1

About trihydroxy-(2,4,6-trimethylphenyl)phosphanium

trihydroxy-(2,4,6-trimethylphenyl)phosphanium (PubChem CID 67570561) has the molecular formula C9H14O3P+ and a molecular weight of 201.18 g/mol. Its IUPAC name is trihydroxy-(2,4,6-trimethylphenyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(2,4,6-trimethylphenyl)phosphanium
PubChem CID67570561
Molecular FormulaC9H14O3P+
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Nametrihydroxy-(2,4,6-trimethylphenyl)phosphanium
SMILESCc1cc(C)c([P+](O)(O)O)c(C)c1
InChIInChI=1S/C9H14O3P/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5,10-12H,1-3H3/q+1
InChIKeyAUDSWLZDFFOYJD-UHFFFAOYSA-N
XLogP0.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
CID 70632558
1-(2,4,6-trimethylanilino)ethanol
CID 160916728
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol
CID 21413032
CID 56621266
CID 56621266
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
(2,4,6-trimethylphenyl)-trimethylsilylphosphanide
CID 12736255
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
hydroxy-(2,4,6-trimethylphenyl)methanesulfonic acid
CID 103574351
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
[3-(dihydroxymethyl)-5-methylphenyl]methanediol
CID 20583677

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(2,4,6-trimethylphenyl)phosphanium?
The IUPAC name of trihydroxy-(2,4,6-trimethylphenyl)phosphanium (CID 67570561) is trihydroxy-(2,4,6-trimethylphenyl)phosphanium.
What is the SMILES notation for trihydroxy-(2,4,6-trimethylphenyl)phosphanium?
The canonical SMILES for trihydroxy-(2,4,6-trimethylphenyl)phosphanium is Cc1cc(C)c([P+](O)(O)O)c(C)c1.
What is the InChIKey of trihydroxy-(2,4,6-trimethylphenyl)phosphanium?
The InChIKey is AUDSWLZDFFOYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3P/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5,10-12H,1-3H3/q+1.
What are the key properties of trihydroxy-(2,4,6-trimethylphenyl)phosphanium?
trihydroxy-(2,4,6-trimethylphenyl)phosphanium has a molecular weight of 201.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2,4,6-trimethylphenyl)phosphanium is sourced from PubChem (CID 67570561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).