2-(hydroxymethyl)-4-octyl-6-sulfanylphenol

C15H24O2S — CID 71319391

IUPAC2-(hydroxymethyl)-4-octyl-6-sulfanylphenol
SMILESCCCCCCCCc1cc(S)c(O)c(CO)c1
InChIInChI=1S/C15H24O2S/c1-2-3-4-5-6-7-8-12-9-13(11-16)15(17)14(18)10-12/h9-10,16-18H,2-8,11H2,1H3
InChIKeySMDUAOFVYGMOFE-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.08
Rot. Bonds8

About 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol

2-(hydroxymethyl)-4-octyl-6-sulfanylphenol (PubChem CID 71319391) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-octyl-6-sulfanylphenol
PubChem CID71319391
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name2-(hydroxymethyl)-4-octyl-6-sulfanylphenol
SMILESCCCCCCCCc1cc(S)c(O)c(CO)c1
InChIInChI=1S/C15H24O2S/c1-2-3-4-5-6-7-8-12-9-13(11-16)15(17)14(18)10-12/h9-10,16-18H,2-8,11H2,1H3
InChIKeySMDUAOFVYGMOFE-UHFFFAOYSA-N
XLogP4.08
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol 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-(hydroxymethyl)-4-propyl-6-sulfanylphenol
CID 71319399
2-[[2-hydroxy-3-(hydroxymethyl)-5-nonylphenyl]methyl]-6-(hydroxymethyl)-4-nonylphenol
CID 118909015
2,4,6-triheptylphenol
CID 139692303
4-butyl-2,6-didodecylphenol
CID 66619638
2,6-diethyl-4-pentylphenol
CID 66879488
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
5-hexylbenzene-1,2,3-triol
CID 54026211
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2,6-bis(2-methylpropyl)-4-nonylphenol
CID 126622784
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol?
The IUPAC name of 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol (CID 71319391) is 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol?
The canonical SMILES for 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol is CCCCCCCCc1cc(S)c(O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol?
The InChIKey is SMDUAOFVYGMOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-2-3-4-5-6-7-8-12-9-13(11-16)15(17)14(18)10-12/h9-10,16-18H,2-8,11H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol?
2-(hydroxymethyl)-4-octyl-6-sulfanylphenol has a molecular weight of 268.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-octyl-6-sulfanylphenol is sourced from PubChem (CID 71319391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).