hydroxy-dioxido-(2-phenylacetyl)phosphanium

C8H8O4P- — CID 136773120

IUPAChydroxy-dioxido-(2-phenylacetyl)phosphanium
SMILESO=C(Cc1ccccc1)[P+]([O-])([O-])O
InChIInChI=1S/C8H9O4P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)/p-1
InChIKeyHKSPESBFWPBYLK-UHFFFAOYSA-M
MW199.12 g/mol
LogP-0.77
Rot. Bonds3

About hydroxy-dioxido-(2-phenylacetyl)phosphanium

hydroxy-dioxido-(2-phenylacetyl)phosphanium (PubChem CID 136773120) has the molecular formula C8H8O4P- and a molecular weight of 199.12 g/mol. Its IUPAC name is hydroxy-dioxido-(2-phenylacetyl)phosphanium.

Molecular Properties

Compound Namehydroxy-dioxido-(2-phenylacetyl)phosphanium
PubChem CID136773120
Molecular FormulaC8H8O4P-
Molecular Weight199.12 g/mol
Exact Mass199.02
IUPAC Namehydroxy-dioxido-(2-phenylacetyl)phosphanium
SMILESO=C(Cc1ccccc1)[P+]([O-])([O-])O
InChIInChI=1S/C8H9O4P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)/p-1
InChIKeyHKSPESBFWPBYLK-UHFFFAOYSA-M
XLogP-0.77
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-phenylacetate
CID 19205773
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-hydroxy-3-oxo-4-phenylbutanoic acid
CID 151330520
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
chloro hypochlorite;2-phenylacetic acid
CID 174297587
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
calcium;hydride;2-phenylacetic acid
CID 173132712
benzene;1-phenylpropan-2-one
CID 21430852

Frequently Asked Questions

What is the IUPAC name of hydroxy-dioxido-(2-phenylacetyl)phosphanium?
The IUPAC name of hydroxy-dioxido-(2-phenylacetyl)phosphanium (CID 136773120) is hydroxy-dioxido-(2-phenylacetyl)phosphanium.
What is the SMILES notation for hydroxy-dioxido-(2-phenylacetyl)phosphanium?
The canonical SMILES for hydroxy-dioxido-(2-phenylacetyl)phosphanium is O=C(Cc1ccccc1)[P+]([O-])([O-])O.
What is the InChIKey of hydroxy-dioxido-(2-phenylacetyl)phosphanium?
The InChIKey is HKSPESBFWPBYLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O4P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)/p-1.
What are the key properties of hydroxy-dioxido-(2-phenylacetyl)phosphanium?
hydroxy-dioxido-(2-phenylacetyl)phosphanium has a molecular weight of 199.12 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dioxido-(2-phenylacetyl)phosphanium is sourced from PubChem (CID 136773120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).