hydroxy-oxo-(4-phenylbutyl)phosphanium

C10H14O2P+ — CID 11816451

IUPAChydroxy-oxo-(4-phenylbutyl)phosphanium
SMILESO=[P+](O)CCCCc1ccccc1
InChIInChI=1S/C10H13O2P/c11-13(12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2/p+1
InChIKeyPWXZGIVKGZBIBK-UHFFFAOYSA-O
MW197.19 g/mol
LogP2.74
Rot. Bonds5

About hydroxy-oxo-(4-phenylbutyl)phosphanium

hydroxy-oxo-(4-phenylbutyl)phosphanium (PubChem CID 11816451) has the molecular formula C10H14O2P+ and a molecular weight of 197.19 g/mol. Its IUPAC name is hydroxy-oxo-(4-phenylbutyl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(4-phenylbutyl)phosphanium
PubChem CID11816451
Molecular FormulaC10H14O2P+
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namehydroxy-oxo-(4-phenylbutyl)phosphanium
SMILESO=[P+](O)CCCCc1ccccc1
InChIInChI=1S/C10H13O2P/c11-13(12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2/p+1
InChIKeyPWXZGIVKGZBIBK-UHFFFAOYSA-O
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(4-phenylbutyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(4-phenylbutyl)phosphanium?
The IUPAC name of hydroxy-oxo-(4-phenylbutyl)phosphanium (CID 11816451) is hydroxy-oxo-(4-phenylbutyl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(4-phenylbutyl)phosphanium?
The canonical SMILES for hydroxy-oxo-(4-phenylbutyl)phosphanium is O=[P+](O)CCCCc1ccccc1.
What is the InChIKey of hydroxy-oxo-(4-phenylbutyl)phosphanium?
The InChIKey is PWXZGIVKGZBIBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13O2P/c11-13(12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2/p+1.
What are the key properties of hydroxy-oxo-(4-phenylbutyl)phosphanium?
hydroxy-oxo-(4-phenylbutyl)phosphanium has a molecular weight of 197.19 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(4-phenylbutyl)phosphanium is sourced from PubChem (CID 11816451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).