2-hydroxy-1,3-diphenylpropane-2-sulfonic acid

C15H16O4S — CID 103574168

IUPAC2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
SMILESO=S(=O)(O)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H16O4S/c16-15(20(17,18)19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,17,18,19)
InChIKeyTUGLDTGDKAETEK-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.05
Rot. Bonds5

About 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid

2-hydroxy-1,3-diphenylpropane-2-sulfonic acid (PubChem CID 103574168) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
PubChem CID103574168
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
SMILESO=S(=O)(O)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H16O4S/c16-15(20(17,18)19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,17,18,19)
InChIKeyTUGLDTGDKAETEK-UHFFFAOYSA-N
XLogP2.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.05
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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Related Compounds

2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
azane;sulfuric acid;2-[4-(2,2,2-trihydroxyethyl)phenyl]ethane-1,1,1-triol
CID 175293760
2-amino-1-phenylpropan-2-ol;sulfo hydrogen sulfate
CID 69452093
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
CID 141041544
2-benzyl-3,3-diethyl-2-sulfobutanedioic acid
CID 171481396
(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate
CID 123161149
2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
CID 15584229
alumane;phenylmethanesulfonic acid
CID 174435213
phenylmethanesulfonic acid;phosphane
CID 173374603
hydroxy-(2-hydroxy-1,3-diphenylpropan-2-yl)-oxophosphanium
CID 68615340
CID 6331790
CID 6331790

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid?
The IUPAC name of 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid (CID 103574168) is 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid.
What is the SMILES notation for 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid?
The canonical SMILES for 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid is O=S(=O)(O)C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid?
The InChIKey is TUGLDTGDKAETEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c16-15(20(17,18)19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,17,18,19).
What are the key properties of 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid?
2-hydroxy-1,3-diphenylpropane-2-sulfonic acid has a molecular weight of 292.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3-diphenylpropane-2-sulfonic acid is sourced from PubChem (CID 103574168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).