[1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid

C14H16O7P2 — CID 11639032

IUPAC[1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid
SMILESO=P(O)(O)C(O)(Cc1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C14H16O7P2/c15-14(22(16,17)18,23(19,20)21)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,16,17,18)(H2,19,20,21)
InChIKeyLUYNHXMMVVHGRO-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.90
Rot. Bonds5

About [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid

[1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid (PubChem CID 11639032) has the molecular formula C14H16O7P2 and a molecular weight of 358.22 g/mol. Its IUPAC name is [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid.

Molecular Properties

Compound Name[1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid
PubChem CID11639032
Molecular FormulaC14H16O7P2
Molecular Weight358.22 g/mol
Exact Mass358.04
IUPAC Name[1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid
SMILESO=P(O)(O)C(O)(Cc1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C14H16O7P2/c15-14(22(16,17)18,23(19,20)21)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,16,17,18)(H2,19,20,21)
InChIKeyLUYNHXMMVVHGRO-UHFFFAOYSA-N
XLogP1.90
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid?
The IUPAC name of [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid (CID 11639032) is [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid.
What is the SMILES notation for [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid?
The canonical SMILES for [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid is O=P(O)(O)C(O)(Cc1ccc(-c2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid?
The InChIKey is LUYNHXMMVVHGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O7P2/c15-14(22(16,17)18,23(19,20)21)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,16,17,18)(H2,19,20,21).
What are the key properties of [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid?
[1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid has a molecular weight of 358.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-2-(4-phenylphenyl)-1-phosphonoethyl]phosphonic acid is sourced from PubChem (CID 11639032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).