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

C12H8Br2Cl2OS — CID 63426686

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H8Br2Cl2OS/c13-11-5-7(12(14)18-11)10(17)4-6-1-2-8(15)9(16)3-6/h1-3,5,10,17H,4H2
InChIKeyWDHAJQUIAGFXAI-UHFFFAOYSA-N
MW430.98 g/mol
LogP5.86
Rot. Bonds3

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

1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 63426686) has the molecular formula C12H8Br2Cl2OS and a molecular weight of 430.98 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID63426686
Molecular FormulaC12H8Br2Cl2OS
Molecular Weight430.98 g/mol
Exact Mass427.80
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H8Br2Cl2OS/c13-11-5-7(12(14)18-11)10(17)4-6-1-2-8(15)9(16)3-6/h1-3,5,10,17H,4H2
InChIKeyWDHAJQUIAGFXAI-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 114022310
1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 80533591
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114021943
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 55148283
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 107965761
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol (CID 63426686) is 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is WDHAJQUIAGFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2OS/c13-11-5-7(12(14)18-11)10(17)4-6-1-2-8(15)9(16)3-6/h1-3,5,10,17H,4H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol?
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 430.98 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 63426686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).