2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol

C15H17BrO2S — CID 63893813

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2cc(Br)ccc2OC)s1
InChIInChI=1S/C15H17BrO2S/c1-3-12-5-7-15(19-12)13(17)9-10-8-11(16)4-6-14(10)18-2/h4-8,13,17H,3,9H2,1-2H3
InChIKeyUQAZJSLDKXBSAR-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.36
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol

2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol (PubChem CID 63893813) has the molecular formula C15H17BrO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
PubChem CID63893813
Molecular FormulaC15H17BrO2S
Molecular Weight341.27 g/mol
Exact Mass340.01
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2cc(Br)ccc2OC)s1
InChIInChI=1S/C15H17BrO2S/c1-3-12-5-7-15(19-12)13(17)9-10-8-11(16)4-6-14(10)18-2/h4-8,13,17H,3,9H2,1-2H3
InChIKeyUQAZJSLDKXBSAR-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105290102
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150275
2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
1-(5-bromo-2-methoxyphenyl)undecan-2-ol
CID 115779222
2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554042
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol (CID 63893813) is 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(C(O)Cc2cc(Br)ccc2OC)s1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is UQAZJSLDKXBSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2S/c1-3-12-5-7-15(19-12)13(17)9-10-8-11(16)4-6-14(10)18-2/h4-8,13,17H,3,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 341.27 g/mol, XLogP of 4.36, 5 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-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 63893813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).