hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium

C9H12O3P+ — CID 172760226

IUPAChydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium
SMILESCC(C)c1ccccc1O[P+](=O)O
InChIInChI=1S/C9H11O3P/c1-7(2)8-5-3-4-6-9(8)12-13(10)11/h3-7H,1-2H3/p+1
InChIKeyJDSCYEQMXVBQJE-UHFFFAOYSA-O
MW199.17 g/mol
LogP2.84
Rot. Bonds3

About hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium

hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium (PubChem CID 172760226) has the molecular formula C9H12O3P+ and a molecular weight of 199.17 g/mol. Its IUPAC name is hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium
PubChem CID172760226
Molecular FormulaC9H12O3P+
Molecular Weight199.17 g/mol
Exact Mass199.05
IUPAC Namehydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium
SMILESCC(C)c1ccccc1O[P+](=O)O
InChIInChI=1S/C9H11O3P/c1-7(2)8-5-3-4-6-9(8)12-13(10)11/h3-7H,1-2H3/p+1
InChIKeyJDSCYEQMXVBQJE-UHFFFAOYSA-O
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium 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

[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium
CID 70592726
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925487
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium (CID 172760226) is hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium is CC(C)c1ccccc1O[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium?
The InChIKey is JDSCYEQMXVBQJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11O3P/c1-7(2)8-5-3-4-6-9(8)12-13(10)11/h3-7H,1-2H3/p+1.
What are the key properties of hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium?
hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium has a molecular weight of 199.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium is sourced from PubChem (CID 172760226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).