2-benzylsulfonylphenol

C13H12O3S — CID 561338

IUPAC2-benzylsulfonylphenol
SMILESO=S(=O)(Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H12O3S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyVUTZDPJIXNMTHN-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.37
Rot. Bonds3

About 2-benzylsulfonylphenol

2-benzylsulfonylphenol (PubChem CID 561338) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-benzylsulfonylphenol.

Molecular Properties

Compound Name2-benzylsulfonylphenol
PubChem CID561338
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name2-benzylsulfonylphenol
SMILESO=S(=O)(Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H12O3S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyVUTZDPJIXNMTHN-UHFFFAOYSA-N
XLogP2.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bisphenol S
CID 6626
2,2'-Diallyl-4,4'-sulfonyldiphenol
CID 833466
2,4'-Dihydroxydiphenyl sulfone
CID 79381
2-Tosylbenzene-1,4-diol
CID 621969
Phenol, 2,2'-thiobis-
CID 83665
Bis(2-hydroxy-5-methylphenyl)sulfide
CID 520428
2-(Phenylsulfonyl)-1,4-benzenediol
CID 640910
3-Methyl-4-(methylsulfonyl)phenol
CID 167048
4,4'-Sulfonylbis(2-methylphenol)
CID 257513
4-(Benzenesulfonyl)phenol
CID 343804
Bis(4-Hydroxybenzyl)Sulfide
CID 23651847
2-Methanesulfonylphenol
CID 598998

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonylphenol?
The IUPAC name of 2-benzylsulfonylphenol (CID 561338) is 2-benzylsulfonylphenol.
What is the SMILES notation for 2-benzylsulfonylphenol?
The canonical SMILES for 2-benzylsulfonylphenol is O=S(=O)(Cc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-benzylsulfonylphenol?
The InChIKey is VUTZDPJIXNMTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 2-benzylsulfonylphenol?
2-benzylsulfonylphenol has a molecular weight of 248.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonylphenol is sourced from PubChem (CID 561338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).