2-hydroxy-6-phenylbenzenesulfonic acid

C12H10O4S — CID 19033639

IUPAC2-hydroxy-6-phenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1c(O)cccc1-c1ccccc1
InChIInChI=1S/C12H10O4S/c13-11-8-4-7-10(12(11)17(14,15)16)9-5-2-1-3-6-9/h1-8,13H,(H,14,15,16)
InChIKeyOVELLTIVAZOOHA-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.31
Rot. Bonds2

About 2-hydroxy-6-phenylbenzenesulfonic acid

2-hydroxy-6-phenylbenzenesulfonic acid (PubChem CID 19033639) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-hydroxy-6-phenylbenzenesulfonic acid.

Molecular Properties

Compound Name2-hydroxy-6-phenylbenzenesulfonic acid
PubChem CID19033639
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name2-hydroxy-6-phenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1c(O)cccc1-c1ccccc1
InChIInChI=1S/C12H10O4S/c13-11-8-4-7-10(12(11)17(14,15)16)9-5-2-1-3-6-9/h1-8,13H,(H,14,15,16)
InChIKeyOVELLTIVAZOOHA-UHFFFAOYSA-N
XLogP2.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-phenylbenzenesulfonic acid?
The IUPAC name of 2-hydroxy-6-phenylbenzenesulfonic acid (CID 19033639) is 2-hydroxy-6-phenylbenzenesulfonic acid.
What is the SMILES notation for 2-hydroxy-6-phenylbenzenesulfonic acid?
The canonical SMILES for 2-hydroxy-6-phenylbenzenesulfonic acid is O=S(=O)(O)c1c(O)cccc1-c1ccccc1.
What is the InChIKey of 2-hydroxy-6-phenylbenzenesulfonic acid?
The InChIKey is OVELLTIVAZOOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-11-8-4-7-10(12(11)17(14,15)16)9-5-2-1-3-6-9/h1-8,13H,(H,14,15,16).
What are the key properties of 2-hydroxy-6-phenylbenzenesulfonic acid?
2-hydroxy-6-phenylbenzenesulfonic acid has a molecular weight of 250.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-phenylbenzenesulfonic acid is sourced from PubChem (CID 19033639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).