2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol

C15H22OS2 — CID 22065451

IUPAC2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(CSCC)c(O)c(CSCC)c1
InChIInChI=1S/C15H22OS2/c1-4-7-12-8-13(10-17-5-2)15(16)14(9-12)11-18-6-3/h4,8-9,16H,1,5-7,10-11H2,2-3H3
InChIKeyIMFOOQOVMTUBAW-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.63
Rot. Bonds8

About 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol

2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol (PubChem CID 22065451) has the molecular formula C15H22OS2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
PubChem CID22065451
Molecular FormulaC15H22OS2
Molecular Weight282.47 g/mol
Exact Mass282.11
IUPAC Name2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
SMILESC=CCc1cc(CSCC)c(O)c(CSCC)c1
InChIInChI=1S/C15H22OS2/c1-4-7-12-8-13(10-17-5-2)15(16)14(9-12)11-18-6-3/h4,8-9,16H,1,5-7,10-11H2,2-3H3
InChIKeyIMFOOQOVMTUBAW-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol?
The IUPAC name of 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol (CID 22065451) is 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol?
The canonical SMILES for 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol is C=CCc1cc(CSCC)c(O)c(CSCC)c1.
What is the InChIKey of 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol?
The InChIKey is IMFOOQOVMTUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS2/c1-4-7-12-8-13(10-17-5-2)15(16)14(9-12)11-18-6-3/h4,8-9,16H,1,5-7,10-11H2,2-3H3.
What are the key properties of 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol?
2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol has a molecular weight of 282.47 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol is sourced from PubChem (CID 22065451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).