hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium

C10H14O2P+ — CID 175828845

IUPAChydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium
SMILESCc1cc(C)c(C[P+](=O)O)c(C)c1
InChIInChI=1S/C10H13O2P/c1-7-4-8(2)10(6-13(11)12)9(3)5-7/h4-5H,6H2,1-3H3/p+1
InChIKeyGBXWMKIVVXUQBA-UHFFFAOYSA-O
MW197.19 g/mol
LogP2.85
Rot. Bonds2

About hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium

hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium (PubChem CID 175828845) has the molecular formula C10H14O2P+ and a molecular weight of 197.19 g/mol. Its IUPAC name is hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium
PubChem CID175828845
Molecular FormulaC10H14O2P+
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namehydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium
SMILESCc1cc(C)c(C[P+](=O)O)c(C)c1
InChIInChI=1S/C10H13O2P/c1-7-4-8(2)10(6-13(11)12)9(3)5-7/h4-5H,6H2,1-3H3/p+1
InChIKeyGBXWMKIVVXUQBA-UHFFFAOYSA-O
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]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

ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
N',N'-dimethyl-2-(2,4,6-trimethylphenyl)acetohydrazide
CID 116847434
2-[dideuterio(deuteriooxy)methyl]-1,3,5-trimethylbenzene
CID 45048806
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
trimethyl-[3-(2,4,6-trimethylphenyl)propyl]silane
CID 71178201
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
2-butyl-1,3,5-trimethylbenzene
CID 527298
chloro-oxo-(2,4,6-trimethylphenyl)phosphanium
CID 89287459
2-(bromomethyl)-3,5-dimethylbenzoic acid
CID 171024686

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium?
The IUPAC name of hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium (CID 175828845) is hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium is Cc1cc(C)c(C[P+](=O)O)c(C)c1.
What is the InChIKey of hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium?
The InChIKey is GBXWMKIVVXUQBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13O2P/c1-7-4-8(2)10(6-13(11)12)9(3)5-7/h4-5H,6H2,1-3H3/p+1.
What are the key properties of hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium?
hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium has a molecular weight of 197.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[(2,4,6-trimethylphenyl)methyl]phosphanium is sourced from PubChem (CID 175828845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).