phenyl (2-phenylphenyl) hydrogen phosphate

C18H15O4P — CID 21401890

IUPACphenyl (2-phenylphenyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H15O4P/c19-23(20,21-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,19,20)
InChIKeyWFGXRKDVVUUWHE-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.91
Rot. Bonds5

About phenyl (2-phenylphenyl) hydrogen phosphate

phenyl (2-phenylphenyl) hydrogen phosphate (PubChem CID 21401890) has the molecular formula C18H15O4P and a molecular weight of 326.29 g/mol. Its IUPAC name is phenyl (2-phenylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namephenyl (2-phenylphenyl) hydrogen phosphate
PubChem CID21401890
Molecular FormulaC18H15O4P
Molecular Weight326.29 g/mol
Exact Mass326.07
IUPAC Namephenyl (2-phenylphenyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H15O4P/c19-23(20,21-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,19,20)
InChIKeyWFGXRKDVVUUWHE-UHFFFAOYSA-N
XLogP4.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl (2-phenylphenyl) hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl (2-phenylphenyl) hydrogen phosphate?
The IUPAC name of phenyl (2-phenylphenyl) hydrogen phosphate (CID 21401890) is phenyl (2-phenylphenyl) hydrogen phosphate.
What is the SMILES notation for phenyl (2-phenylphenyl) hydrogen phosphate?
The canonical SMILES for phenyl (2-phenylphenyl) hydrogen phosphate is O=P(O)(Oc1ccccc1)Oc1ccccc1-c1ccccc1.
What is the InChIKey of phenyl (2-phenylphenyl) hydrogen phosphate?
The InChIKey is WFGXRKDVVUUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O4P/c19-23(20,21-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H,19,20).
What are the key properties of phenyl (2-phenylphenyl) hydrogen phosphate?
phenyl (2-phenylphenyl) hydrogen phosphate has a molecular weight of 326.29 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2-phenylphenyl) hydrogen phosphate is sourced from PubChem (CID 21401890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).