benzyl(phenoxy)phosphinic acid

C13H13O3P — CID 54071062

IUPACbenzyl(phenoxy)phosphinic acid
SMILESO=P(O)(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O3P/c14-17(15,11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,14,15)
InChIKeyMGMDSEZIPNCOKX-UHFFFAOYSA-N
MW248.22 g/mol
LogP3.45
Rot. Bonds4

About benzyl(phenoxy)phosphinic acid

benzyl(phenoxy)phosphinic acid (PubChem CID 54071062) has the molecular formula C13H13O3P and a molecular weight of 248.22 g/mol. Its IUPAC name is benzyl(phenoxy)phosphinic acid.

Molecular Properties

Compound Namebenzyl(phenoxy)phosphinic acid
PubChem CID54071062
Molecular FormulaC13H13O3P
Molecular Weight248.22 g/mol
Exact Mass248.06
IUPAC Namebenzyl(phenoxy)phosphinic acid
SMILESO=P(O)(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O3P/c14-17(15,11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,14,15)
InChIKeyMGMDSEZIPNCOKX-UHFFFAOYSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)methyl-phenoxyphosphinic acid
CID 22932200
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
CID 173412594
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951
[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium
CID 10002906
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
[benzyl(phenoxy)phosphoryl]oxymethanamine
CID 174833549

Frequently Asked Questions

What is the IUPAC name of benzyl(phenoxy)phosphinic acid?
The IUPAC name of benzyl(phenoxy)phosphinic acid (CID 54071062) is benzyl(phenoxy)phosphinic acid.
What is the SMILES notation for benzyl(phenoxy)phosphinic acid?
The canonical SMILES for benzyl(phenoxy)phosphinic acid is O=P(O)(Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of benzyl(phenoxy)phosphinic acid?
The InChIKey is MGMDSEZIPNCOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O3P/c14-17(15,11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,14,15).
What are the key properties of benzyl(phenoxy)phosphinic acid?
benzyl(phenoxy)phosphinic acid has a molecular weight of 248.22 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(phenoxy)phosphinic acid is sourced from PubChem (CID 54071062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).