4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol

C16H16OS — CID 54758084

IUPAC4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1cc(-c2cccc(SC)c2)ccc1O
InChIInChI=1S/C16H16OS/c1-3-5-14-10-13(8-9-16(14)17)12-6-4-7-15(11-12)18-2/h3-4,6-11,17H,1,5H2,2H3
InChIKeyLHMVNRUPNCLGLH-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.51
Rot. Bonds4

About 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol

4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol (PubChem CID 54758084) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol
PubChem CID54758084
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol
SMILESC=CCc1cc(-c2cccc(SC)c2)ccc1O
InChIInChI=1S/C16H16OS/c1-3-5-14-10-13(8-9-16(14)17)12-6-4-7-15(11-12)18-2/h3-4,6-11,17H,1,5H2,2H3
InChIKeyLHMVNRUPNCLGLH-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.51
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 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol?
The IUPAC name of 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol (CID 54758084) is 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol.
What is the SMILES notation for 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol?
The canonical SMILES for 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol is C=CCc1cc(-c2cccc(SC)c2)ccc1O.
What is the InChIKey of 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol?
The InChIKey is LHMVNRUPNCLGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-3-5-14-10-13(8-9-16(14)17)12-6-4-7-15(11-12)18-2/h3-4,6-11,17H,1,5H2,2H3.
What are the key properties of 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol?
4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol has a molecular weight of 256.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylphenyl)-2-prop-2-enylphenol is sourced from PubChem (CID 54758084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).