[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid

C7H10O6P2 — CID 87473581

IUPAC[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
SMILESO=P(O)(O)P(=O)(O)OCc1ccccc1
InChIInChI=1S/C7H10O6P2/c8-14(9,10)15(11,12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)(H2,8,9,10)
InChIKeyYTYMBFFNKFRAHY-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.48
Rot. Bonds4

About [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid

[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid (PubChem CID 87473581) has the molecular formula C7H10O6P2 and a molecular weight of 252.10 g/mol. Its IUPAC name is [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
PubChem CID87473581
Molecular FormulaC7H10O6P2
Molecular Weight252.10 g/mol
Exact Mass252.00
IUPAC Name[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
SMILESO=P(O)(O)P(=O)(O)OCc1ccccc1
InChIInChI=1S/C7H10O6P2/c8-14(9,10)15(11,12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)(H2,8,9,10)
InChIKeyYTYMBFFNKFRAHY-UHFFFAOYSA-N
XLogP1.48
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl hydrogen phosphate;silver
CID 85301331
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
hydroxy-imino-bis(phenylmethoxy)-λ5-phosphane
CID 57159517
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
benzyl tert-butyl hydrogen phosphate
CID 140989025
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
[4-(phosphonooxymethyl)phenyl]methyl dihydrogen phosphate
CID 118583982
benzyl phenyl phosphono phosphate
CID 150753839

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid?
The IUPAC name of [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid (CID 87473581) is [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid.
What is the SMILES notation for [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid?
The canonical SMILES for [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid is O=P(O)(O)P(=O)(O)OCc1ccccc1.
What is the InChIKey of [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid?
The InChIKey is YTYMBFFNKFRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6P2/c8-14(9,10)15(11,12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)(H2,8,9,10).
What are the key properties of [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid?
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid has a molecular weight of 252.10 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenylmethoxy)phosphoryl]phosphonic acid is sourced from PubChem (CID 87473581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).