3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid

C12H10O5S — CID 141399633

IUPAC3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(-c2ccccc2O)c(O)c1
InChIInChI=1S/C12H10O5S/c13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)14)18(15,16)17/h1-7,13-14H,(H,15,16,17)
InChIKeyIVLQKHOOBMXCOL-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.01
Rot. Bonds2

About 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid

3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid (PubChem CID 141399633) has the molecular formula C12H10O5S and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
PubChem CID141399633
Molecular FormulaC12H10O5S
Molecular Weight266.27 g/mol
Exact Mass266.02
IUPAC Name3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(-c2ccccc2O)c(O)c1
InChIInChI=1S/C12H10O5S/c13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)14)18(15,16)17/h1-7,13-14H,(H,15,16,17)
InChIKeyIVLQKHOOBMXCOL-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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059723
9,10-dioxoanthracene-2-sulfonic acid;hydrate
CID 87345179
3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059720
sodium;hydride;3-hydroxy-4-sulfanylbenzenesulfonic acid
CID 173214888
naphthalene-2-sulfonic acid
CID 8420
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
2-(2-hydroxyphenyl)-4-methylbenzenesulfonic acid
CID 18364680
2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid
CID 139847780
naphthalene-2-sulfonic acid;zinc
CID 87263273
2-(2-carboxy-4-sulfophenyl)-5-sulfobenzoic acid
CID 178078504
9-methylidenefluorene-2,7-disulfonic acid
CID 130291005
CID 87246277
CID 87246277

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid?
The IUPAC name of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid (CID 141399633) is 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid.
What is the SMILES notation for 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid?
The canonical SMILES for 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid is O=S(=O)(O)c1ccc(-c2ccccc2O)c(O)c1.
What is the InChIKey of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid?
The InChIKey is IVLQKHOOBMXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5S/c13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)14)18(15,16)17/h1-7,13-14H,(H,15,16,17).
What are the key properties of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid?
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic 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 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid is sourced from PubChem (CID 141399633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).