2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol

C13H17ClO2S — CID 80621737

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)C1CCCS1
InChIInChI=1S/C13H17ClO2S/c1-16-12-5-4-10(14)7-9(12)8-11(15)13-3-2-6-17-13/h4-5,7,11,13,15H,2-3,6,8H2,1H3
InChIKeyZJMBOLYVQFHPFG-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.15
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol

2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol (PubChem CID 80621737) has the molecular formula C13H17ClO2S and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol
PubChem CID80621737
Molecular FormulaC13H17ClO2S
Molecular Weight272.80 g/mol
Exact Mass272.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)C1CCCS1
InChIInChI=1S/C13H17ClO2S/c1-16-12-5-4-10(14)7-9(12)8-11(15)13-3-2-6-17-13/h4-5,7,11,13,15H,2-3,6,8H2,1H3
InChIKeyZJMBOLYVQFHPFG-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
N-[2-(5-chloro-2-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627450
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
N-[(5-chloro-2-methoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626589
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150275
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol (CID 80621737) is 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol is COc1ccc(Cl)cc1CC(O)C1CCCS1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol?
The InChIKey is ZJMBOLYVQFHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2S/c1-16-12-5-4-10(14)7-9(12)8-11(15)13-3-2-6-17-13/h4-5,7,11,13,15H,2-3,6,8H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol?
2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol has a molecular weight of 272.80 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol is sourced from PubChem (CID 80621737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).