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

C10H14O4P+ — CID 159688001

IUPACtrihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](O)(O)O)c(C)c1
InChIInChI=1S/C10H14O4P/c1-6-4-7(2)9(8(3)5-6)10(11)15(12,13)14/h4-5,12-14H,1-3H3/q+1
InChIKeyHZQBSIDGIQEGIF-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.49
Rot. Bonds2

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

trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 159688001) has the molecular formula C10H14O4P+ and a molecular weight of 229.19 g/mol. Its IUPAC name is trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID159688001
Molecular FormulaC10H14O4P+
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Nametrihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](O)(O)O)c(C)c1
InChIInChI=1S/C10H14O4P/c1-6-4-7(2)9(8(3)5-6)10(11)15(12,13)14/h4-5,12-14H,1-3H3/q+1
InChIKeyHZQBSIDGIQEGIF-UHFFFAOYSA-N
XLogP1.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
CID 140911137
CID 140911137
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
2-[1,3-dioxo-1,3-bis(2,4,6-trimethylphenyl)propan-2-yl]oxy-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 141040043
(Z)-3-hydroxy-2-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 54716620
2-phosphoroso-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 22735025
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium (CID 159688001) is trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium is Cc1cc(C)c(C(=O)[P+](O)(O)O)c(C)c1.
What is the InChIKey of trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is HZQBSIDGIQEGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4P/c1-6-4-7(2)9(8(3)5-6)10(11)15(12,13)14/h4-5,12-14H,1-3H3/q+1.
What are the key properties of trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium?
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 229.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 159688001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).