(5-hydroxy-2-phenylphenyl) hydrogen sulfate

C12H10O5S — CID 56634877

IUPAC(5-hydroxy-2-phenylphenyl) hydrogen sulfate
SMILESO=S(=O)(O)Oc1cc(O)ccc1-c1ccccc1
InChIInChI=1S/C12H10O5S/c13-10-6-7-11(9-4-2-1-3-5-9)12(8-10)17-18(14,15)16/h1-8,13H,(H,14,15,16)
InChIKeyJQNRDASAHJFCAA-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.24
Rot. Bonds3

About (5-hydroxy-2-phenylphenyl) hydrogen sulfate

(5-hydroxy-2-phenylphenyl) hydrogen sulfate (PubChem CID 56634877) has the molecular formula C12H10O5S and a molecular weight of 266.27 g/mol. Its IUPAC name is (5-hydroxy-2-phenylphenyl) hydrogen sulfate.

Molecular Properties

Compound Name(5-hydroxy-2-phenylphenyl) hydrogen sulfate
PubChem CID56634877
Molecular FormulaC12H10O5S
Molecular Weight266.27 g/mol
Exact Mass266.02
IUPAC Name(5-hydroxy-2-phenylphenyl) hydrogen sulfate
SMILESO=S(=O)(O)Oc1cc(O)ccc1-c1ccccc1
InChIInChI=1S/C12H10O5S/c13-10-6-7-11(9-4-2-1-3-5-9)12(8-10)17-18(14,15)16/h1-8,13H,(H,14,15,16)
InChIKeyJQNRDASAHJFCAA-UHFFFAOYSA-N
XLogP2.24
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (5-hydroxy-2-phenylphenyl) hydrogen sulfate 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 (5-hydroxy-2-phenylphenyl) hydrogen sulfate?
The IUPAC name of (5-hydroxy-2-phenylphenyl) hydrogen sulfate (CID 56634877) is (5-hydroxy-2-phenylphenyl) hydrogen sulfate.
What is the SMILES notation for (5-hydroxy-2-phenylphenyl) hydrogen sulfate?
The canonical SMILES for (5-hydroxy-2-phenylphenyl) hydrogen sulfate is O=S(=O)(O)Oc1cc(O)ccc1-c1ccccc1.
What is the InChIKey of (5-hydroxy-2-phenylphenyl) hydrogen sulfate?
The InChIKey is JQNRDASAHJFCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5S/c13-10-6-7-11(9-4-2-1-3-5-9)12(8-10)17-18(14,15)16/h1-8,13H,(H,14,15,16).
What are the key properties of (5-hydroxy-2-phenylphenyl) hydrogen sulfate?
(5-hydroxy-2-phenylphenyl) hydrogen sulfate has a molecular weight of 266.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-phenylphenyl) hydrogen sulfate is sourced from PubChem (CID 56634877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).