hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane

C12H16OS — CID 67830505

IUPAChydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane
SMILESC=CCS(O)(CC=C)c1ccccc1
InChIInChI=1S/C12H16OS/c1-3-10-14(13,11-4-2)12-8-6-5-7-9-12/h3-9,13H,1-2,10-11H2
InChIKeyWFCKJHLWEIHHCF-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.70
Rot. Bonds5

About hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane

hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane (PubChem CID 67830505) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane.

Molecular Properties

Compound Namehydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane
PubChem CID67830505
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Namehydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane
SMILESC=CCS(O)(CC=C)c1ccccc1
InChIInChI=1S/C12H16OS/c1-3-10-14(13,11-4-2)12-8-6-5-7-9-12/h3-9,13H,1-2,10-11H2
InChIKeyWFCKJHLWEIHHCF-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane?
The IUPAC name of hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane (CID 67830505) is hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane.
What is the SMILES notation for hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane?
The canonical SMILES for hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane is C=CCS(O)(CC=C)c1ccccc1.
What is the InChIKey of hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane?
The InChIKey is WFCKJHLWEIHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-3-10-14(13,11-4-2)12-8-6-5-7-9-12/h3-9,13H,1-2,10-11H2.
What are the key properties of hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane?
hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane has a molecular weight of 208.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane is sourced from PubChem (CID 67830505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).