2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol

C13H18O3S — CID 117237270

IUPAC2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
SMILESCOc1ccccc1OCC(O)C1CCSC1
InChIInChI=1S/C13H18O3S/c1-15-12-4-2-3-5-13(12)16-8-11(14)10-6-7-17-9-10/h2-5,10-11,14H,6-9H2,1H3
InChIKeyDRKIURKNKRDTQU-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.19
Rot. Bonds5

About 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol

2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol (PubChem CID 117237270) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
PubChem CID117237270
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
SMILESCOc1ccccc1OCC(O)C1CCSC1
InChIInChI=1S/C13H18O3S/c1-15-12-4-2-3-5-13(12)16-8-11(14)10-6-7-17-9-10/h2-5,10-11,14H,6-9H2,1H3
InChIKeyDRKIURKNKRDTQU-UHFFFAOYSA-N
XLogP2.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenoxy)-1-(thiolan-3-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

2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237266
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol (CID 117237270) is 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol is COc1ccccc1OCC(O)C1CCSC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol?
The InChIKey is DRKIURKNKRDTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-15-12-4-2-3-5-13(12)16-8-11(14)10-6-7-17-9-10/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol?
2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol has a molecular weight of 254.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 117237270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).