2,5-dihydroxy-4-phenylbenzenesulfonic acid

C12H10O5S — CID 168873086

IUPAC2,5-dihydroxy-4-phenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C12H10O5S/c13-10-7-12(18(15,16)17)11(14)6-9(10)8-4-2-1-3-5-8/h1-7,13-14H,(H,15,16,17)
InChIKeyQOOTUMVSOQDPPF-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.01
Rot. Bonds2

About 2,5-dihydroxy-4-phenylbenzenesulfonic acid

2,5-dihydroxy-4-phenylbenzenesulfonic acid (PubChem CID 168873086) has the molecular formula C12H10O5S and a molecular weight of 266.27 g/mol. Its IUPAC name is 2,5-dihydroxy-4-phenylbenzenesulfonic acid.

Molecular Properties

Compound Name2,5-dihydroxy-4-phenylbenzenesulfonic acid
PubChem CID168873086
Molecular FormulaC12H10O5S
Molecular Weight266.27 g/mol
Exact Mass266.02
IUPAC Name2,5-dihydroxy-4-phenylbenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C12H10O5S/c13-10-7-12(18(15,16)17)11(14)6-9(10)8-4-2-1-3-5-8/h1-7,13-14H,(H,15,16,17)
InChIKeyQOOTUMVSOQDPPF-UHFFFAOYSA-N
XLogP2.01
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
2-hydroxy-4-phenyl-5-(1-phenylethyl)benzenesulfonic acid
CID 54384791
CID 173398336
CID 173398336
sodium;bis(3-hydroxy-9,10-dioxoanthracene-2-sulfonic acid);hydrate
CID 126456623
azulene-1-sulfonic acid
CID 159727462
3-hydroxy-6-phenylbenzene-1,2-disulfonic acid
CID 21278689
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
2-hydroxy-6-phenylbenzenesulfonic acid
CID 19033639
5-fluoro-2-phenylbenzenesulfonic acid
CID 18324012
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
sodium;2,5-dibromo-4-phenylbenzenesulfonic acid;hydride
CID 173085882
4-methyl-2,3,5-triphenylbenzenesulfonic acid;phosphane
CID 174911967

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-4-phenylbenzenesulfonic acid?
The IUPAC name of 2,5-dihydroxy-4-phenylbenzenesulfonic acid (CID 168873086) is 2,5-dihydroxy-4-phenylbenzenesulfonic acid.
What is the SMILES notation for 2,5-dihydroxy-4-phenylbenzenesulfonic acid?
The canonical SMILES for 2,5-dihydroxy-4-phenylbenzenesulfonic acid is O=S(=O)(O)c1cc(O)c(-c2ccccc2)cc1O.
What is the InChIKey of 2,5-dihydroxy-4-phenylbenzenesulfonic acid?
The InChIKey is QOOTUMVSOQDPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5S/c13-10-7-12(18(15,16)17)11(14)6-9(10)8-4-2-1-3-5-8/h1-7,13-14H,(H,15,16,17).
What are the key properties of 2,5-dihydroxy-4-phenylbenzenesulfonic acid?
2,5-dihydroxy-4-phenylbenzenesulfonic acid has a molecular weight of 266.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-4-phenylbenzenesulfonic acid is sourced from PubChem (CID 168873086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).