2-(2-hydroxyphenyl)benzenesulfonic acid

C12H10O4S — CID 11096992

IUPAC2-(2-hydroxyphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1-c1ccccc1O
InChIInChI=1S/C12H10O4S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17(14,15)16/h1-8,13H,(H,14,15,16)
InChIKeyFTZXLHWTCIEUNZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-hydroxyphenyl)benzenesulfonic acid

2-(2-hydroxyphenyl)benzenesulfonic acid (PubChem CID 11096992) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)benzenesulfonic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)benzenesulfonic acid
PubChem CID11096992
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Name2-(2-hydroxyphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1-c1ccccc1O
InChIInChI=1S/C12H10O4S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17(14,15)16/h1-8,13H,(H,14,15,16)
InChIKeyFTZXLHWTCIEUNZ-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-(2-hydroxyphenyl)benzenesulfonic acid?
The IUPAC name of 2-(2-hydroxyphenyl)benzenesulfonic acid (CID 11096992) is 2-(2-hydroxyphenyl)benzenesulfonic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)benzenesulfonic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)benzenesulfonic acid is O=S(=O)(O)c1ccccc1-c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)benzenesulfonic acid?
The InChIKey is FTZXLHWTCIEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17(14,15)16/h1-8,13H,(H,14,15,16).
What are the key properties of 2-(2-hydroxyphenyl)benzenesulfonic acid?
2-(2-hydroxyphenyl)benzenesulfonic 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-(2-hydroxyphenyl)benzenesulfonic acid is sourced from PubChem (CID 11096992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).