3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol

C15H14OS — CID 143844914

IUPAC3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol
SMILESCSc1ccc(/C=C/c2cccc(O)c2)cc1
InChIInChI=1S/C15H14OS/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11,16H,1H3/b6-5+
InChIKeyBTTNBNDWWNJXOQ-AATRIKPKSA-N
MW242.34 g/mol
LogP4.28
Rot. Bonds3

About 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol

3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol (PubChem CID 143844914) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol
PubChem CID143844914
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol
SMILESCSc1ccc(/C=C/c2cccc(O)c2)cc1
InChIInChI=1S/C15H14OS/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11,16H,1H3/b6-5+
InChIKeyBTTNBNDWWNJXOQ-AATRIKPKSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol (CID 143844914) is 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol is CSc1ccc(/C=C/c2cccc(O)c2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol?
The InChIKey is BTTNBNDWWNJXOQ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14OS/c1-17-15-9-7-12(8-10-15)5-6-13-3-2-4-14(16)11-13/h2-11,16H,1H3/b6-5+.
What are the key properties of 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol?
3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol has a molecular weight of 242.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol is sourced from PubChem (CID 143844914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).