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

C13H11BrCl2O2S — CID 107969583

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11BrCl2O2S/c1-18-11-3-2-8(14)4-7(11)5-10(17)9-6-12(15)19-13(9)16/h2-4,6,10,17H,5H2,1H3
InChIKeyIWTIXBDTYKSHNK-UHFFFAOYSA-N
MW382.11 g/mol
LogP5.10
Rot. Bonds4

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

2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol (PubChem CID 107969583) has the molecular formula C13H11BrCl2O2S and a molecular weight of 382.11 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
PubChem CID107969583
Molecular FormulaC13H11BrCl2O2S
Molecular Weight382.11 g/mol
Exact Mass379.90
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11BrCl2O2S/c1-18-11-3-2-8(14)4-7(11)5-10(17)9-6-12(15)19-13(9)16/h2-4,6,10,17H,5H2,1H3
InChIKeyIWTIXBDTYKSHNK-UHFFFAOYSA-N
XLogP5.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.11
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893813
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol (CID 107969583) is 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol is COc1ccc(Br)cc1CC(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
The InChIKey is IWTIXBDTYKSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2O2S/c1-18-11-3-2-8(14)4-7(11)5-10(17)9-6-12(15)19-13(9)16/h2-4,6,10,17H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol has a molecular weight of 382.11 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol is sourced from PubChem (CID 107969583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).