4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol

C17H28O2S2 — CID 15052400

IUPAC4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol
SMILESCOCCCCCCCCc1cc(SC)c(O)c(SC)c1
InChIInChI=1S/C17H28O2S2/c1-19-11-9-7-5-4-6-8-10-14-12-15(20-2)17(18)16(13-14)21-3/h12-13,18H,4-11H2,1-3H3
InChIKeyZYJJACWFAOMILV-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.37
Rot. Bonds11

About 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol

4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol (PubChem CID 15052400) has the molecular formula C17H28O2S2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol.

Molecular Properties

Compound Name4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol
PubChem CID15052400
Molecular FormulaC17H28O2S2
Molecular Weight328.54 g/mol
Exact Mass328.15
IUPAC Name4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol
SMILESCOCCCCCCCCc1cc(SC)c(O)c(SC)c1
InChIInChI=1S/C17H28O2S2/c1-19-11-9-7-5-4-6-8-10-14-12-15(20-2)17(18)16(13-14)21-3/h12-13,18H,4-11H2,1-3H3
InChIKeyZYJJACWFAOMILV-UHFFFAOYSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-1,3-bis(methylsulfanyl)-5-octylbenzene
CID 15052387
5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol
CID 23313285
7-methoxyheptylbenzene
CID 54276867
2-(5-methoxypentyl)-1,3,5-trimethylbenzene
CID 143283296
2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol
CID 21499299
methyl 2-methylsulfanyl-4-octylbenzoate
CID 135375193
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
3-(3-bromo-4-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117470282
5-(4-aminobutyl)-2-methylsulfanylphenol
CID 117302194

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol?
The IUPAC name of 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol (CID 15052400) is 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol.
What is the SMILES notation for 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol?
The canonical SMILES for 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol is COCCCCCCCCc1cc(SC)c(O)c(SC)c1.
What is the InChIKey of 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol?
The InChIKey is ZYJJACWFAOMILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2S2/c1-19-11-9-7-5-4-6-8-10-14-12-15(20-2)17(18)16(13-14)21-3/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol?
4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol has a molecular weight of 328.54 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyoctyl)-2,6-bis(methylsulfanyl)phenol is sourced from PubChem (CID 15052400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).