[1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid

C15H18O7P2 — CID 91970444

IUPAC[1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid
SMILESO=P(O)(O)C(O)(CCc1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C15H18O7P2/c16-15(23(17,18)19,24(20,21)22)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H2,17,18,19)(H2,20,21,22)
InChIKeyGGLBRFIRCJFWLU-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.29
Rot. Bonds6

About [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid

[1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid (PubChem CID 91970444) has the molecular formula C15H18O7P2 and a molecular weight of 372.25 g/mol. Its IUPAC name is [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid.

Molecular Properties

Compound Name[1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid
PubChem CID91970444
Molecular FormulaC15H18O7P2
Molecular Weight372.25 g/mol
Exact Mass372.05
IUPAC Name[1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid
SMILESO=P(O)(O)C(O)(CCc1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C15H18O7P2/c16-15(23(17,18)19,24(20,21)22)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H2,17,18,19)(H2,20,21,22)
InChIKeyGGLBRFIRCJFWLU-UHFFFAOYSA-N
XLogP2.29
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.29
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-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid?
The IUPAC name of [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid (CID 91970444) is [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid.
What is the SMILES notation for [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid?
The canonical SMILES for [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid is O=P(O)(O)C(O)(CCc1ccc(-c2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid?
The InChIKey is GGLBRFIRCJFWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O7P2/c16-15(23(17,18)19,24(20,21)22)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H2,17,18,19)(H2,20,21,22).
What are the key properties of [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid?
[1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid has a molecular weight of 372.25 g/mol, XLogP of 2.29, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(4-phenylphenyl)-1-phosphonopropyl]phosphonic acid is sourced from PubChem (CID 91970444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).