4-[(3-bromothiophen-2-yl)methoxymethyl]oxane

C11H15BrO2S — CID 55211253

IUPAC4-[(3-bromothiophen-2-yl)methoxymethyl]oxane
SMILESBrc1ccsc1COCC1CCOCC1
InChIInChI=1S/C11H15BrO2S/c12-10-3-6-15-11(10)8-14-7-9-1-4-13-5-2-9/h3,6,9H,1-2,4-5,7-8H2
InChIKeyDPSCSKKCTHVGRI-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.45
Rot. Bonds4

About 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane

4-[(3-bromothiophen-2-yl)methoxymethyl]oxane (PubChem CID 55211253) has the molecular formula C11H15BrO2S and a molecular weight of 291.21 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)methoxymethyl]oxane
PubChem CID55211253
Molecular FormulaC11H15BrO2S
Molecular Weight291.21 g/mol
Exact Mass290.00
IUPAC Name4-[(3-bromothiophen-2-yl)methoxymethyl]oxane
SMILESBrc1ccsc1COCC1CCOCC1
InChIInChI=1S/C11H15BrO2S/c12-10-3-6-15-11(10)8-14-7-9-1-4-13-5-2-9/h3,6,9H,1-2,4-5,7-8H2
InChIKeyDPSCSKKCTHVGRI-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
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3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
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3-[(3-bromothiophen-2-yl)methoxy]cyclopentan-1-amine
CID 79464740
[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
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4-(phenylmethoxymethyl)oxepane
CID 151980287
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
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1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
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methyl 3-bromo-4-(oxan-4-ylmethoxymethyl)benzoate
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2-(oxan-4-ylmethoxy)-1,3-thiazole
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3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene
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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane?
The IUPAC name of 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane (CID 55211253) is 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane is Brc1ccsc1COCC1CCOCC1.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane?
The InChIKey is DPSCSKKCTHVGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2S/c12-10-3-6-15-11(10)8-14-7-9-1-4-13-5-2-9/h3,6,9H,1-2,4-5,7-8H2.
What are the key properties of 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane?
4-[(3-bromothiophen-2-yl)methoxymethyl]oxane has a molecular weight of 291.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)methoxymethyl]oxane is sourced from PubChem (CID 55211253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).