1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol

C12H8BrCl3OS — CID 80531983

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrCl3OS/c13-12-9(16)5-11(18-12)10(17)4-6-1-2-7(14)8(15)3-6/h1-3,5,10,17H,4H2
InChIKeyPEOIGUWHUSYRNA-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.75
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol

1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 80531983) has the molecular formula C12H8BrCl3OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID80531983
Molecular FormulaC12H8BrCl3OS
Molecular Weight386.53 g/mol
Exact Mass383.85
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrCl3OS/c13-12-9(16)5-11(18-12)10(17)4-6-1-2-7(14)8(15)3-6/h1-3,5,10,17H,4H2
InChIKeyPEOIGUWHUSYRNA-UHFFFAOYSA-N
XLogP5.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 80533591
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 80533300
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 63426686
1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
CID 80532007
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105088041
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 55148283
2-bromo-3-chloro-5-[1-chloro-2-(4-chlorophenyl)ethyl]thiophene
CID 80533733
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol (CID 80531983) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is PEOIGUWHUSYRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3OS/c13-12-9(16)5-11(18-12)10(17)4-6-1-2-7(14)8(15)3-6/h1-3,5,10,17H,4H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol?
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 386.53 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 80531983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).