2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol

C12H15IOS — CID 80623267

IUPAC2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
SMILESOC(Cc1ccc(I)cc1)C1CCCS1
InChIInChI=1S/C12H15IOS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,11-12,14H,1-2,7-8H2
InChIKeyHVPNTBJXYAFGPG-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol

2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol (PubChem CID 80623267) has the molecular formula C12H15IOS and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
PubChem CID80623267
Molecular FormulaC12H15IOS
Molecular Weight334.22 g/mol
Exact Mass333.99
IUPAC Name2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
SMILESOC(Cc1ccc(I)cc1)C1CCCS1
InChIInChI=1S/C12H15IOS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,11-12,14H,1-2,7-8H2
InChIKeyHVPNTBJXYAFGPG-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol 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

1-Phenyl-2-(methylthio)ethanol
CID 3014579
beta-(Methylthio)benzeneethanol
CID 11367227
5-Benzyl-1,3-oxathiolane-2-thione
CID 23568274
1-(1,3-Dithian-2-yl)-3-phenylpropan-1-ol
CID 14547903
(2S,3R)-2-tert-butylsulfanyl-1-phenylhexan-3-ol
CID 15257338
(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol
CID 15257345
(ss-Phenyl-ss-hydroxyathyl)-athyl-thioather
CID 15899024
1-Iodo-3-phenylpropan-2-ol
CID 13098566
2,3-Dihydrothiophen-5-yl(phenyl)methanol
CID 89266439
Hydroxyphenylthiolane
CID 129772068
1-(2-Fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
(4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol
CID 121336369

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol?
The IUPAC name of 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol (CID 80623267) is 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol.
What is the SMILES notation for 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol?
The canonical SMILES for 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol is OC(Cc1ccc(I)cc1)C1CCCS1.
What is the InChIKey of 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol?
The InChIKey is HVPNTBJXYAFGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IOS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,11-12,14H,1-2,7-8H2.
What are the key properties of 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol?
2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol has a molecular weight of 334.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol is sourced from PubChem (CID 80623267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).