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

C12H15ClOS — CID 105076793

IUPAC2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)C1CCSC1
InChIInChI=1S/C12H15ClOS/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-3,6,10,12,14H,4-5,7-8H2
InChIKeyNDYXCUREEORRSB-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.00
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol (PubChem CID 105076793) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
PubChem CID105076793
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)C1CCSC1
InChIInChI=1S/C12H15ClOS/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-3,6,10,12,14H,4-5,7-8H2
InChIKeyNDYXCUREEORRSB-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105077394
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105078111
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
3-(3-chlorophenoxy)-2-(thiolan-3-yl)propan-1-ol
CID 117237859

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol (CID 105076793) is 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol is OC(Cc1cccc(Cl)c1)C1CCSC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol?
The InChIKey is NDYXCUREEORRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-3,6,10,12,14H,4-5,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol?
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol has a molecular weight of 242.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 105076793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).