phenoxy(phenyl)phosphinous acid

C12H11O2P — CID 21107296

IUPACphenoxy(phenyl)phosphinous acid
SMILESOP(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O2P/c13-15(12-9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1-10,13H
InChIKeyDSDCDQWSQBSKRA-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.70
Rot. Bonds3

About phenoxy(phenyl)phosphinous acid

phenoxy(phenyl)phosphinous acid (PubChem CID 21107296) has the molecular formula C12H11O2P and a molecular weight of 218.19 g/mol. Its IUPAC name is phenoxy(phenyl)phosphinous acid.

Molecular Properties

Compound Namephenoxy(phenyl)phosphinous acid
PubChem CID21107296
Molecular FormulaC12H11O2P
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Namephenoxy(phenyl)phosphinous acid
SMILESOP(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O2P/c13-15(12-9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1-10,13H
InChIKeyDSDCDQWSQBSKRA-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenoxy(phenyl)phosphinous acid?
The IUPAC name of phenoxy(phenyl)phosphinous acid (CID 21107296) is phenoxy(phenyl)phosphinous acid.
What is the SMILES notation for phenoxy(phenyl)phosphinous acid?
The canonical SMILES for phenoxy(phenyl)phosphinous acid is OP(Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenoxy(phenyl)phosphinous acid?
The InChIKey is DSDCDQWSQBSKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O2P/c13-15(12-9-5-2-6-10-12)14-11-7-3-1-4-8-11/h1-10,13H.
What are the key properties of phenoxy(phenyl)phosphinous acid?
phenoxy(phenyl)phosphinous acid has a molecular weight of 218.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy(phenyl)phosphinous acid is sourced from PubChem (CID 21107296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).