3-(3-hydroxyphenyl)sulfonylphenol;zinc

C12H10O4SZn — CID 70457337

IUPAC3-(3-hydroxyphenyl)sulfonylphenol;zinc
SMILESO=S(=O)(c1cccc(O)c1)c1cccc(O)c1.[Zn]
InChIInChI=1S/C12H10O4S.Zn/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12;/h1-8,13-14H;
InChIKeyPIQSEQBOAWLCIR-UHFFFAOYSA-N
MW315.67 g/mol
LogP1.93
Rot. Bonds2

About 3-(3-hydroxyphenyl)sulfonylphenol;zinc

3-(3-hydroxyphenyl)sulfonylphenol;zinc (PubChem CID 70457337) has the molecular formula C12H10O4SZn and a molecular weight of 315.67 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)sulfonylphenol;zinc.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)sulfonylphenol;zinc
PubChem CID70457337
Molecular FormulaC12H10O4SZn
Molecular Weight315.67 g/mol
Exact Mass313.96
IUPAC Name3-(3-hydroxyphenyl)sulfonylphenol;zinc
SMILESO=S(=O)(c1cccc(O)c1)c1cccc(O)c1.[Zn]
InChIInChI=1S/C12H10O4S.Zn/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12;/h1-8,13-14H;
InChIKeyPIQSEQBOAWLCIR-UHFFFAOYSA-N
XLogP1.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.67
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)sulfonylphenol
CID 134285490
3-aminophenol;benzenesulfonylbenzene
CID 68932329
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
CID 101301580
bis(3-(trifluoromethylsulfonyl)phenol);zirconium
CID 161276997
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
3-propan-2-ylsulfonylphenol
CID 23588863
(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfonylthiophen-2-yl]methanone
CID 90645575
3-(2-fluoroethylsulfonyl)phenol
CID 84672154
4-(3-methylphenyl)sulfonylphenol
CID 19739466
3-(2,2-difluoroethylsulfonyl)phenol
CID 84687411
1-(3-hydroxyphenyl)sulfonylpropan-2-one
CID 58482507

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)sulfonylphenol;zinc?
The IUPAC name of 3-(3-hydroxyphenyl)sulfonylphenol;zinc (CID 70457337) is 3-(3-hydroxyphenyl)sulfonylphenol;zinc.
What is the SMILES notation for 3-(3-hydroxyphenyl)sulfonylphenol;zinc?
The canonical SMILES for 3-(3-hydroxyphenyl)sulfonylphenol;zinc is O=S(=O)(c1cccc(O)c1)c1cccc(O)c1.[Zn].
What is the InChIKey of 3-(3-hydroxyphenyl)sulfonylphenol;zinc?
The InChIKey is PIQSEQBOAWLCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.Zn/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12;/h1-8,13-14H;.
What are the key properties of 3-(3-hydroxyphenyl)sulfonylphenol;zinc?
3-(3-hydroxyphenyl)sulfonylphenol;zinc has a molecular weight of 315.67 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)sulfonylphenol;zinc is sourced from PubChem (CID 70457337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).