hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium

C16H12O5P+ — CID 174874246

IUPAChydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium
SMILESO=C(CO[P+](=O)O)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H11O5P/c17-14(10-20-22(18)19)12-6-7-15-13(8-12)9-16(21-15)11-4-2-1-3-5-11/h1-9H,10H2/p+1
InChIKeyUXKPYZMVOMYICL-UHFFFAOYSA-O
MW315.24 g/mol
LogP3.95
Rot. Bonds5

About hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium

hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium (PubChem CID 174874246) has the molecular formula C16H12O5P+ and a molecular weight of 315.24 g/mol. Its IUPAC name is hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium
PubChem CID174874246
Molecular FormulaC16H12O5P+
Molecular Weight315.24 g/mol
Exact Mass315.04
IUPAC Namehydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium
SMILESO=C(CO[P+](=O)O)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H11O5P/c17-14(10-20-22(18)19)12-6-7-15-13(8-12)9-16(21-15)11-4-2-1-3-5-11/h1-9H,10H2/p+1
InChIKeyUXKPYZMVOMYICL-UHFFFAOYSA-O
XLogP3.95
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium (CID 174874246) is hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium is O=C(CO[P+](=O)O)c1ccc2oc(-c3ccccc3)cc2c1.
What is the InChIKey of hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium?
The InChIKey is UXKPYZMVOMYICL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H11O5P/c17-14(10-20-22(18)19)12-6-7-15-13(8-12)9-16(21-15)11-4-2-1-3-5-11/h1-9H,10H2/p+1.
What are the key properties of hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium?
hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium has a molecular weight of 315.24 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[2-oxo-2-(2-phenyl-1-benzofuran-5-yl)ethoxy]phosphanium is sourced from PubChem (CID 174874246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).