(4-hydroxyphenyl) phenyl hydrogen phosphate

C12H11O5P — CID 21410667

IUPAC(4-hydroxyphenyl) phenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C12H11O5P/c13-10-6-8-12(9-7-10)17-18(14,15)16-11-4-2-1-3-5-11/h1-9,13H,(H,14,15)
InChIKeyTUBVQVOADJADLU-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.95
Rot. Bonds4

About (4-hydroxyphenyl) phenyl hydrogen phosphate

(4-hydroxyphenyl) phenyl hydrogen phosphate (PubChem CID 21410667) has the molecular formula C12H11O5P and a molecular weight of 266.19 g/mol. Its IUPAC name is (4-hydroxyphenyl) phenyl hydrogen phosphate.

Molecular Properties

Compound Name(4-hydroxyphenyl) phenyl hydrogen phosphate
PubChem CID21410667
Molecular FormulaC12H11O5P
Molecular Weight266.19 g/mol
Exact Mass266.03
IUPAC Name(4-hydroxyphenyl) phenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C12H11O5P/c13-10-6-8-12(9-7-10)17-18(14,15)16-11-4-2-1-3-5-11/h1-9,13H,(H,14,15)
InChIKeyTUBVQVOADJADLU-UHFFFAOYSA-N
XLogP2.95
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyphenyl) phenyl hydrogen phosphate?
The IUPAC name of (4-hydroxyphenyl) phenyl hydrogen phosphate (CID 21410667) is (4-hydroxyphenyl) phenyl hydrogen phosphate.
What is the SMILES notation for (4-hydroxyphenyl) phenyl hydrogen phosphate?
The canonical SMILES for (4-hydroxyphenyl) phenyl hydrogen phosphate is O=P(O)(Oc1ccccc1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) phenyl hydrogen phosphate?
The InChIKey is TUBVQVOADJADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O5P/c13-10-6-8-12(9-7-10)17-18(14,15)16-11-4-2-1-3-5-11/h1-9,13H,(H,14,15).
What are the key properties of (4-hydroxyphenyl) phenyl hydrogen phosphate?
(4-hydroxyphenyl) phenyl hydrogen phosphate has a molecular weight of 266.19 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) phenyl hydrogen phosphate is sourced from PubChem (CID 21410667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).