4-(8-sulfanyloctyl)phenol

C14H22OS — CID 58675994

IUPAC4-(8-sulfanyloctyl)phenol
SMILESOc1ccc(CCCCCCCCS)cc1
InChIInChI=1S/C14H22OS/c15-14-10-8-13(9-11-14)7-5-3-1-2-4-6-12-16/h8-11,15-16H,1-7,12H2
InChIKeyYRNKPOUNYDWAIH-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.21
Rot. Bonds8

About 4-(8-sulfanyloctyl)phenol

4-(8-sulfanyloctyl)phenol (PubChem CID 58675994) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-(8-sulfanyloctyl)phenol.

Molecular Properties

Compound Name4-(8-sulfanyloctyl)phenol
PubChem CID58675994
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-(8-sulfanyloctyl)phenol
SMILESOc1ccc(CCCCCCCCS)cc1
InChIInChI=1S/C14H22OS/c15-14-10-8-13(9-11-14)7-5-3-1-2-4-6-12-16/h8-11,15-16H,1-7,12H2
InChIKeyYRNKPOUNYDWAIH-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-(8-sulfanyloctyl)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

5-[4-(5-sulfanylpentyl)phenyl]pentane-1-thiol
CID 91071669
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
CID 71362156
8-[4-(sulfanylmethyl)phenyl]octane-1-thiol
CID 86216591
4-(6-sulfanylhexyl)benzenethiol
CID 86209304
4-(12-hydroxydodecyl)phenol
CID 139809285
4-(6-iodohexyl)phenol
CID 23455799
4-(4-sulfanylbutyl)benzenethiol
CID 129086521
CID 162318522
CID 162318522
tris(4-octylphenol);propane
CID 90866185
nickel;4-octylphenol
CID 87833867
calcium;hydride;4-octylphenol
CID 173256756

Frequently Asked Questions

What is the IUPAC name of 4-(8-sulfanyloctyl)phenol?
The IUPAC name of 4-(8-sulfanyloctyl)phenol (CID 58675994) is 4-(8-sulfanyloctyl)phenol.
What is the SMILES notation for 4-(8-sulfanyloctyl)phenol?
The canonical SMILES for 4-(8-sulfanyloctyl)phenol is Oc1ccc(CCCCCCCCS)cc1.
What is the InChIKey of 4-(8-sulfanyloctyl)phenol?
The InChIKey is YRNKPOUNYDWAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c15-14-10-8-13(9-11-14)7-5-3-1-2-4-6-12-16/h8-11,15-16H,1-7,12H2.
What are the key properties of 4-(8-sulfanyloctyl)phenol?
4-(8-sulfanyloctyl)phenol has a molecular weight of 238.40 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-sulfanyloctyl)phenol is sourced from PubChem (CID 58675994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).