phenoxy(phenyl)phosphinic acid;phosphenous acid

C12H12O5P2 — CID 174870906

IUPACphenoxy(phenyl)phosphinic acid;phosphenous acid
SMILESO=P(O)(Oc1ccccc1)c1ccccc1.O=PO
InChIInChI=1S/C12H11O3P.HO2P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;1-3-2/h1-10H,(H,13,14);(H,1,2)
InChIKeyNTMPEPBPMONIEU-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.76
Rot. Bonds3

About phenoxy(phenyl)phosphinic acid;phosphenous acid

phenoxy(phenyl)phosphinic acid;phosphenous acid (PubChem CID 174870906) has the molecular formula C12H12O5P2 and a molecular weight of 298.17 g/mol. Its IUPAC name is phenoxy(phenyl)phosphinic acid;phosphenous acid.

Molecular Properties

Compound Namephenoxy(phenyl)phosphinic acid;phosphenous acid
PubChem CID174870906
Molecular FormulaC12H12O5P2
Molecular Weight298.17 g/mol
Exact Mass298.02
IUPAC Namephenoxy(phenyl)phosphinic acid;phosphenous acid
SMILESO=P(O)(Oc1ccccc1)c1ccccc1.O=PO
InChIInChI=1S/C12H11O3P.HO2P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;1-3-2/h1-10H,(H,13,14);(H,1,2)
InChIKeyNTMPEPBPMONIEU-UHFFFAOYSA-N
XLogP2.76
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid
CID 175892525
phenoxy-[4-(2,3,4-trimethylphenyl)phenyl]phosphinic acid
CID 141076733
phenoxy-(4-prop-2-enylphenyl)phosphinic acid
CID 141245969
diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
[4-(4-butylphenyl)phenyl]-phenoxyphosphinic acid
CID 141245968
hydroxy phenyl hydrogen phosphate
CID 19103302
cesium phenyl hydrogen phosphate
CID 175568082
sodium phenoxy(phenyl)phosphinate
CID 161254659

Frequently Asked Questions

What is the IUPAC name of phenoxy(phenyl)phosphinic acid;phosphenous acid?
The IUPAC name of phenoxy(phenyl)phosphinic acid;phosphenous acid (CID 174870906) is phenoxy(phenyl)phosphinic acid;phosphenous acid.
What is the SMILES notation for phenoxy(phenyl)phosphinic acid;phosphenous acid?
The canonical SMILES for phenoxy(phenyl)phosphinic acid;phosphenous acid is O=P(O)(Oc1ccccc1)c1ccccc1.O=PO.
What is the InChIKey of phenoxy(phenyl)phosphinic acid;phosphenous acid?
The InChIKey is NTMPEPBPMONIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3P.HO2P/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11;1-3-2/h1-10H,(H,13,14);(H,1,2).
What are the key properties of phenoxy(phenyl)phosphinic acid;phosphenous acid?
phenoxy(phenyl)phosphinic acid;phosphenous acid has a molecular weight of 298.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy(phenyl)phosphinic acid;phosphenous acid is sourced from PubChem (CID 174870906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).