1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol

C13H12Cl2O2S — CID 61081417

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H12Cl2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)10-7-12(14)18-13(10)15/h2-5,7,11,16H,6H2,1H3
InChIKeyPJGCRZTYSRYUGO-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.34
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol

1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol (PubChem CID 61081417) has the molecular formula C13H12Cl2O2S and a molecular weight of 303.21 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
PubChem CID61081417
Molecular FormulaC13H12Cl2O2S
Molecular Weight303.21 g/mol
Exact Mass301.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H12Cl2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)10-7-12(14)18-13(10)15/h2-5,7,11,16H,6H2,1H3
InChIKeyPJGCRZTYSRYUGO-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

3-[1-bromo-2-(4-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 55199934
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
3-[bromo-(4-methoxyphenyl)methyl]-2,5-dichlorothiophene
CID 63444952
2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol
CID 10611352
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
CID 107967248

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol (CID 61081417) is 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol?
The InChIKey is PJGCRZTYSRYUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)10-7-12(14)18-13(10)15/h2-5,7,11,16H,6H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol?
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)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-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 61081417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).