2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol

C12H15ClO2S — CID 117237439

IUPAC2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCSC1
InChIInChI=1S/C12H15ClO2S/c13-10-1-3-11(4-2-10)15-7-12(14)9-5-6-16-8-9/h1-4,9,12,14H,5-8H2
InChIKeyXTMFGDMBYYICHU-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol

2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol (PubChem CID 117237439) has the molecular formula C12H15ClO2S and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
PubChem CID117237439
Molecular FormulaC12H15ClO2S
Molecular Weight258.77 g/mol
Exact Mass258.05
IUPAC Name2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCSC1
InChIInChI=1S/C12H15ClO2S/c13-10-1-3-11(4-2-10)15-7-12(14)9-5-6-16-8-9/h1-4,9,12,14H,5-8H2
InChIKeyXTMFGDMBYYICHU-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
3-(4-chlorophenoxy)-2-(thian-4-yl)propan-1-amine
CID 117239379
2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
CID 117237460
2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270
2-(2-bromophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237266
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237490
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
3-(3-chlorophenoxy)-2-(thiolan-3-yl)propan-1-ol
CID 117237859
2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 105116183

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol (CID 117237439) is 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol is OC(COc1ccc(Cl)cc1)C1CCSC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol?
The InChIKey is XTMFGDMBYYICHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2S/c13-10-1-3-11(4-2-10)15-7-12(14)9-5-6-16-8-9/h1-4,9,12,14H,5-8H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol?
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol has a molecular weight of 258.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 117237439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).