2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol

C13H12Cl2O2S — CID 81129746

IUPAC2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H12Cl2O2S/c1-17-9-6-13(18-7-9)12(16)5-8-2-3-10(14)11(15)4-8/h2-4,6-7,12,16H,5H2,1H3
InChIKeySYDQHXWJXQKRHN-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.34
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol

2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol (PubChem CID 81129746) has the molecular formula C13H12Cl2O2S and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
PubChem CID81129746
Molecular FormulaC13H12Cl2O2S
Molecular Weight303.21 g/mol
Exact Mass301.99
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H12Cl2O2S/c1-17-9-6-13(18-7-9)12(16)5-8-2-3-10(14)11(15)4-8/h2-4,6-7,12,16H,5H2,1H3
InChIKeySYDQHXWJXQKRHN-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-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056
2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115786578
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115830281
1-(4-methoxythiophen-2-yl)-2-thiophen-2-ylethanol
CID 81129052
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-4-methoxythiophene
CID 81129544
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347951

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol (CID 81129746) is 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol is COc1csc(C(O)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The InChIKey is SYDQHXWJXQKRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2S/c1-17-9-6-13(18-7-9)12(16)5-8-2-3-10(14)11(15)4-8/h2-4,6-7,12,16H,5H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-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-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 81129746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).