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

C13H12Cl2O2S — CID 65150275

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2O2S/c1-17-11-3-2-9(14)6-8(11)7-10(16)12-4-5-13(15)18-12/h2-6,10,16H,7H2,1H3
InChIKeyCBLALNHHAPJIFD-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.34
Rot. Bonds4

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

2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 65150275) has the molecular formula C13H12Cl2O2S and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID65150275
Molecular FormulaC13H12Cl2O2S
Molecular Weight303.21 g/mol
Exact Mass301.99
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2O2S/c1-17-11-3-2-9(14)6-8(11)7-10(16)12-4-5-13(15)18-12/h2-6,10,16H,7H2,1H3
InChIKeyCBLALNHHAPJIFD-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol (CID 65150275) is 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol is COc1ccc(Cl)cc1CC(O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is CBLALNHHAPJIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2S/c1-17-11-3-2-9(14)6-8(11)7-10(16)12-4-5-13(15)18-12/h2-6,10,16H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol?
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 303.21 g/mol, XLogP of 4.34, 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-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 65150275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).