2-phenylphosphanylphenolate

C12H10OP- — CID 139104043

IUPAC2-phenylphosphanylphenolate
SMILES[O-]c1ccccc1Pc1ccccc1
InChIInChI=1S/C12H11OP/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,13-14H/p-1
InChIKeyXSDMCKAUGBOMEV-UHFFFAOYSA-M
MW201.19 g/mol
LogP1.39
Rot. Bonds2

About 2-phenylphosphanylphenolate

2-phenylphosphanylphenolate (PubChem CID 139104043) has the molecular formula C12H10OP- and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-phenylphosphanylphenolate.

Molecular Properties

Compound Name2-phenylphosphanylphenolate
PubChem CID139104043
Molecular FormulaC12H10OP-
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name2-phenylphosphanylphenolate
SMILES[O-]c1ccccc1Pc1ccccc1
InChIInChI=1S/C12H11OP/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,13-14H/p-1
InChIKeyXSDMCKAUGBOMEV-UHFFFAOYSA-M
XLogP1.39
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenylphosphanylphenolate 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

diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bis(diphenylphosphane);nickel
CID 172733587
(2-methylsulfonylphenyl)-phenylphosphane
CID 71101597
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
CID 18326967
lithium;hydride;(2-methoxyphenyl)-phenylphosphane
CID 175008654
phenyl-(6-phenylphosphanyl-2-pyridinyl)phosphane
CID 102266323
CID 10930667
CID 10930667
diphenylphosphane;trichlororuthenium
CID 162065304
diphenylphosphane;phosphorous acid
CID 158763055
benzene-1,4-diol;diphenylphosphane
CID 70153043
diphenylphosphane;iron(3+);methanone
CID 174711189

Frequently Asked Questions

What is the IUPAC name of 2-phenylphosphanylphenolate?
The IUPAC name of 2-phenylphosphanylphenolate (CID 139104043) is 2-phenylphosphanylphenolate.
What is the SMILES notation for 2-phenylphosphanylphenolate?
The canonical SMILES for 2-phenylphosphanylphenolate is [O-]c1ccccc1Pc1ccccc1.
What is the InChIKey of 2-phenylphosphanylphenolate?
The InChIKey is XSDMCKAUGBOMEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11OP/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,13-14H/p-1.
What are the key properties of 2-phenylphosphanylphenolate?
2-phenylphosphanylphenolate has a molecular weight of 201.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylphosphanylphenolate is sourced from PubChem (CID 139104043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).