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

C13H12Cl2O2S — CID 115786093

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2O2S/c1-17-12-4-2-8(14)6-10(12)11(16)7-9-3-5-13(15)18-9/h2-6,11,16H,7H2,1H3
InChIKeyPKIUPBSXLNNWKP-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.34
Rot. Bonds4

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

1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol (PubChem CID 115786093) has the molecular formula C13H12Cl2O2S and a molecular weight of 303.21 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
PubChem CID115786093
Molecular FormulaC13H12Cl2O2S
Molecular Weight303.21 g/mol
Exact Mass301.99
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2O2S/c1-17-12-4-2-8(14)6-10(12)11(16)7-9-3-5-13(15)18-9/h2-6,11,16H,7H2,1H3
InChIKeyPKIUPBSXLNNWKP-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol (CID 115786093) is 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol is COc1ccc(Cl)cc1C(O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is PKIUPBSXLNNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2S/c1-17-12-4-2-8(14)6-10(12)11(16)7-9-3-5-13(15)18-9/h2-6,11,16H,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol?
1-(5-chloro-2-methoxyphenyl)-2-(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 1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 115786093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).