hydroxy-oxo-(1-phenylethenyl)phosphanium

C8H8O2P+ — CID 12633797

IUPAChydroxy-oxo-(1-phenylethenyl)phosphanium
SMILESC=C(c1ccccc1)[P+](=O)O
InChIInChI=1S/C8H7O2P/c1-7(11(9)10)8-5-3-2-4-6-8/h2-6H,1H2/p+1
InChIKeyDKNDIPWQGTVEDZ-UHFFFAOYSA-O
MW167.12 g/mol
LogP2.39
Rot. Bonds2

About hydroxy-oxo-(1-phenylethenyl)phosphanium

hydroxy-oxo-(1-phenylethenyl)phosphanium (PubChem CID 12633797) has the molecular formula C8H8O2P+ and a molecular weight of 167.12 g/mol. Its IUPAC name is hydroxy-oxo-(1-phenylethenyl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(1-phenylethenyl)phosphanium
PubChem CID12633797
Molecular FormulaC8H8O2P+
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Namehydroxy-oxo-(1-phenylethenyl)phosphanium
SMILESC=C(c1ccccc1)[P+](=O)O
InChIInChI=1S/C8H7O2P/c1-7(11(9)10)8-5-3-2-4-6-8/h2-6H,1H2/p+1
InChIKeyDKNDIPWQGTVEDZ-UHFFFAOYSA-O
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(1-phenylethenyl)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

hydroxy-oxo-(1-phenylethenyl)phosphanium;isocyanic acid
CID 88618889
phenacyl
CID 11123355
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-phosphorosooxyethenylbenzene
CID 57228195
CID 159091938
CID 159091938
benzoic acid;ethene
CID 160765727
4-phenylpenta-1,4-dien-2-ylbenzene
CID 102571838
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
4-phenylpent-4-enoic acid;phosphenous acid
CID 175528610
ethane;2-phenylprop-2-enoic acid
CID 142472843

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(1-phenylethenyl)phosphanium?
The IUPAC name of hydroxy-oxo-(1-phenylethenyl)phosphanium (CID 12633797) is hydroxy-oxo-(1-phenylethenyl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(1-phenylethenyl)phosphanium?
The canonical SMILES for hydroxy-oxo-(1-phenylethenyl)phosphanium is C=C(c1ccccc1)[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(1-phenylethenyl)phosphanium?
The InChIKey is DKNDIPWQGTVEDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7O2P/c1-7(11(9)10)8-5-3-2-4-6-8/h2-6H,1H2/p+1.
What are the key properties of hydroxy-oxo-(1-phenylethenyl)phosphanium?
hydroxy-oxo-(1-phenylethenyl)phosphanium has a molecular weight of 167.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(1-phenylethenyl)phosphanium is sourced from PubChem (CID 12633797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).