2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol

C12H15ClOS — CID 66153726

IUPAC2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
SMILESOC(CSc1ccccc1Cl)C1CCC1
InChIInChI=1S/C12H15ClOS/c13-10-6-1-2-7-12(10)15-8-11(14)9-4-3-5-9/h1-2,6-7,9,11,14H,3-5,8H2
InChIKeyVLWCPMWWYMYROJ-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.59
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol

2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol (PubChem CID 66153726) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
PubChem CID66153726
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
SMILESOC(CSc1ccccc1Cl)C1CCC1
InChIInChI=1S/C12H15ClOS/c13-10-6-1-2-7-12(10)15-8-11(14)9-4-3-5-9/h1-2,6-7,9,11,14H,3-5,8H2
InChIKeyVLWCPMWWYMYROJ-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol (CID 66153726) is 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol is OC(CSc1ccccc1Cl)C1CCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol?
The InChIKey is VLWCPMWWYMYROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c13-10-6-1-2-7-12(10)15-8-11(14)9-4-3-5-9/h1-2,6-7,9,11,14H,3-5,8H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol?
2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol has a molecular weight of 242.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol is sourced from PubChem (CID 66153726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).