(4-phenylphenyl) dihydrogen phosphate

C12H11O4P — CID 14151161

IUPAC(4-phenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11O4P/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyHCMDALUSRXPQDD-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.83
Rot. Bonds3

About (4-phenylphenyl) dihydrogen phosphate

(4-phenylphenyl) dihydrogen phosphate (PubChem CID 14151161) has the molecular formula C12H11O4P and a molecular weight of 250.19 g/mol. Its IUPAC name is (4-phenylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-phenylphenyl) dihydrogen phosphate
PubChem CID14151161
Molecular FormulaC12H11O4P
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name(4-phenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11O4P/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyHCMDALUSRXPQDD-UHFFFAOYSA-N
XLogP2.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) dihydrogen phosphate?
The IUPAC name of (4-phenylphenyl) dihydrogen phosphate (CID 14151161) is (4-phenylphenyl) dihydrogen phosphate.
What is the SMILES notation for (4-phenylphenyl) dihydrogen phosphate?
The canonical SMILES for (4-phenylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) dihydrogen phosphate?
The InChIKey is HCMDALUSRXPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15).
What are the key properties of (4-phenylphenyl) dihydrogen phosphate?
(4-phenylphenyl) dihydrogen phosphate has a molecular weight of 250.19 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) dihydrogen phosphate is sourced from PubChem (CID 14151161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).