2-[(E)-but-2-enyl]sulfinylphenol

C10H12O2S — CID 5364817

IUPAC2-[(E)-but-2-enyl]sulfinylphenol
SMILESC/C=C/CS(=O)c1ccccc1O
InChIInChI=1S/C10H12O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h2-7,11H,8H2,1H3/b3-2+
InChIKeyQNLIXJRNSDQDKQ-NSCUHMNNSA-N
MW196.27 g/mol
LogP2.08
Rot. Bonds3

About 2-[(E)-but-2-enyl]sulfinylphenol

2-[(E)-but-2-enyl]sulfinylphenol (PubChem CID 5364817) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]sulfinylphenol.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]sulfinylphenol
PubChem CID5364817
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-[(E)-but-2-enyl]sulfinylphenol
SMILESC/C=C/CS(=O)c1ccccc1O
InChIInChI=1S/C10H12O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h2-7,11H,8H2,1H3/b3-2+
InChIKeyQNLIXJRNSDQDKQ-NSCUHMNNSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]sulfinylphenol?
The IUPAC name of 2-[(E)-but-2-enyl]sulfinylphenol (CID 5364817) is 2-[(E)-but-2-enyl]sulfinylphenol.
What is the SMILES notation for 2-[(E)-but-2-enyl]sulfinylphenol?
The canonical SMILES for 2-[(E)-but-2-enyl]sulfinylphenol is C/C=C/CS(=O)c1ccccc1O.
What is the InChIKey of 2-[(E)-but-2-enyl]sulfinylphenol?
The InChIKey is QNLIXJRNSDQDKQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h2-7,11H,8H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]sulfinylphenol?
2-[(E)-but-2-enyl]sulfinylphenol has a molecular weight of 196.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]sulfinylphenol is sourced from PubChem (CID 5364817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).