hexyl-oxo-phenoxyphosphanium

C12H18O2P+ — CID 67135564

IUPAChexyl-oxo-phenoxyphosphanium
SMILESCCCCCC[P+](=O)Oc1ccccc1
InChIInChI=1S/C12H18O2P/c1-2-3-4-8-11-15(13)14-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3/q+1
InChIKeyWKBSKVNNMXBCIF-UHFFFAOYSA-N
MW225.25 g/mol
LogP4.39
Rot. Bonds7

About hexyl-oxo-phenoxyphosphanium

hexyl-oxo-phenoxyphosphanium (PubChem CID 67135564) has the molecular formula C12H18O2P+ and a molecular weight of 225.25 g/mol. Its IUPAC name is hexyl-oxo-phenoxyphosphanium.

Molecular Properties

Compound Namehexyl-oxo-phenoxyphosphanium
PubChem CID67135564
Molecular FormulaC12H18O2P+
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Namehexyl-oxo-phenoxyphosphanium
SMILESCCCCCC[P+](=O)Oc1ccccc1
InChIInChI=1S/C12H18O2P/c1-2-3-4-8-11-15(13)14-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3/q+1
InChIKeyWKBSKVNNMXBCIF-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexyl-oxo-phenoxyphosphanium 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

oxo-pentyl-phenoxyphosphanium
CID 67135329
oxo-phenoxy-undecoxyphosphanium
CID 67392956
cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
2-carboxyethyl-oxo-phenoxyphosphanium;zinc
CID 174937996
benzyl-octyl-oxophosphanium
CID 19938725
bis(decane);phenoxyphosphane
CID 91140487
pentoxybenzene;undecane
CID 174778179
chloromethyl-oxo-phenoxyphosphanium
CID 174746789
decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium
CID 177438388
tetracosan-8-yloxybenzene
CID 154135377
butyl-oxo-phenylsulfanyloxyphosphanium
CID 175377356
ethoxy-octyl-oxophosphanium
CID 14512429

Frequently Asked Questions

What is the IUPAC name of hexyl-oxo-phenoxyphosphanium?
The IUPAC name of hexyl-oxo-phenoxyphosphanium (CID 67135564) is hexyl-oxo-phenoxyphosphanium.
What is the SMILES notation for hexyl-oxo-phenoxyphosphanium?
The canonical SMILES for hexyl-oxo-phenoxyphosphanium is CCCCCC[P+](=O)Oc1ccccc1.
What is the InChIKey of hexyl-oxo-phenoxyphosphanium?
The InChIKey is WKBSKVNNMXBCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2P/c1-2-3-4-8-11-15(13)14-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3/q+1.
What are the key properties of hexyl-oxo-phenoxyphosphanium?
hexyl-oxo-phenoxyphosphanium has a molecular weight of 225.25 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-oxo-phenoxyphosphanium is sourced from PubChem (CID 67135564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).