1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol

C13H13ClO2S — CID 79427096

IUPAC1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)c1cc(Cl)cs1
InChIInChI=1S/C13H13ClO2S/c1-16-12-5-3-2-4-9(12)6-11(15)13-7-10(14)8-17-13/h2-5,7-8,11,15H,6H2,1H3
InChIKeyZCBSWNIUVMXPNY-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol

1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol (PubChem CID 79427096) has the molecular formula C13H13ClO2S and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
PubChem CID79427096
Molecular FormulaC13H13ClO2S
Molecular Weight268.77 g/mol
Exact Mass268.03
IUPAC Name1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)c1cc(Cl)cs1
InChIInChI=1S/C13H13ClO2S/c1-16-12-5-3-2-4-9(12)6-11(15)13-7-10(14)8-17-13/h2-5,7-8,11,15H,6H2,1H3
InChIKeyZCBSWNIUVMXPNY-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312
1-(3,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanol
CID 63016213
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(4-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 79427944
2-(2-chloro-4-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427421
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 114852395
1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 79427974
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol (CID 79427096) is 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol is COc1ccccc1CC(O)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol?
The InChIKey is ZCBSWNIUVMXPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c1-16-12-5-3-2-4-9(12)6-11(15)13-7-10(14)8-17-13/h2-5,7-8,11,15H,6H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol?
1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol has a molecular weight of 268.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 79427096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).