hydroxy-oxo-(2-phenoxyethoxy)phosphanium

C8H10O4P+ — CID 126570180

IUPAChydroxy-oxo-(2-phenoxyethoxy)phosphanium
SMILESO=[P+](O)OCCOc1ccccc1
InChIInChI=1S/C8H9O4P/c9-13(10)12-7-6-11-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1
InChIKeyISHVVELNLPWPMP-UHFFFAOYSA-O
MW201.14 g/mol
LogP1.73
Rot. Bonds5

About hydroxy-oxo-(2-phenoxyethoxy)phosphanium

hydroxy-oxo-(2-phenoxyethoxy)phosphanium (PubChem CID 126570180) has the molecular formula C8H10O4P+ and a molecular weight of 201.14 g/mol. Its IUPAC name is hydroxy-oxo-(2-phenoxyethoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2-phenoxyethoxy)phosphanium
PubChem CID126570180
Molecular FormulaC8H10O4P+
Molecular Weight201.14 g/mol
Exact Mass201.03
IUPAC Namehydroxy-oxo-(2-phenoxyethoxy)phosphanium
SMILESO=[P+](O)OCCOc1ccccc1
InChIInChI=1S/C8H9O4P/c9-13(10)12-7-6-11-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1
InChIKeyISHVVELNLPWPMP-UHFFFAOYSA-O
XLogP1.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(2-phenoxyethoxy)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-phenoxyethylmercury
CID 163598363
2-phenoxyethyl 2-aminoacetate
CID 61302270
CID 58544227
CID 58544227
2-phenoxyethyl hypobromite
CID 139931807
1-oxido-4-(2-phenoxyethoxy)pyridin-1-ium
CID 122456025
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
2-(2-phenoxyethoxy)ethanol
CID 7715
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
formic acid;2-phenoxyethanol
CID 71438669
propyl 3-phenoxypropanoate
CID 43389568

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2-phenoxyethoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2-phenoxyethoxy)phosphanium (CID 126570180) is hydroxy-oxo-(2-phenoxyethoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2-phenoxyethoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2-phenoxyethoxy)phosphanium is O=[P+](O)OCCOc1ccccc1.
What is the InChIKey of hydroxy-oxo-(2-phenoxyethoxy)phosphanium?
The InChIKey is ISHVVELNLPWPMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9O4P/c9-13(10)12-7-6-11-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1.
What are the key properties of hydroxy-oxo-(2-phenoxyethoxy)phosphanium?
hydroxy-oxo-(2-phenoxyethoxy)phosphanium has a molecular weight of 201.14 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2-phenoxyethoxy)phosphanium is sourced from PubChem (CID 126570180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).