2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene

C11H17BrO2S — CID 112588661

IUPAC2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene
SMILESCC(C)(C)OCCOCc1ccc(Br)s1
InChIInChI=1S/C11H17BrO2S/c1-11(2,3)14-7-6-13-8-9-4-5-10(12)15-9/h4-5H,6-8H2,1-3H3
InChIKeyGFHXVVFJQYEXJV-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.84
Rot. Bonds5

About 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene

2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene (PubChem CID 112588661) has the molecular formula C11H17BrO2S and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene
PubChem CID112588661
Molecular FormulaC11H17BrO2S
Molecular Weight293.23 g/mol
Exact Mass292.01
IUPAC Name2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene
SMILESCC(C)(C)OCCOCc1ccc(Br)s1
InChIInChI=1S/C11H17BrO2S/c1-11(2,3)14-7-6-13-8-9-4-5-10(12)15-9/h4-5H,6-8H2,1-3H3
InChIKeyGFHXVVFJQYEXJV-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(3,3-dimethylbutoxymethyl)thiophene
CID 66224927
N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
CID 107559237
2-bromo-5-(octoxymethyl)thiophene
CID 63457717
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
2-[2-[(5-bromothiophen-2-yl)methoxy]ethyl]pyridine
CID 55206860
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methanamine
CID 112589909
N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
CID 114782979
2-bromo-5-[(2-fluorophenyl)methoxymethyl]thiophene
CID 63936755
[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558171
(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937135
1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
CID 62622178
2-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 112587704

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene?
The IUPAC name of 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene (CID 112588661) is 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene?
The canonical SMILES for 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene is CC(C)(C)OCCOCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene?
The InChIKey is GFHXVVFJQYEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2S/c1-11(2,3)14-7-6-13-8-9-4-5-10(12)15-9/h4-5H,6-8H2,1-3H3.
What are the key properties of 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene?
2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene has a molecular weight of 293.23 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene is sourced from PubChem (CID 112588661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).