2-[(2-bromothiophen-3-yl)methoxy]oxane

C10H13BrO2S — CID 20815950

IUPAC2-[(2-bromothiophen-3-yl)methoxy]oxane
SMILESBrc1sccc1COC1CCCCO1
InChIInChI=1S/C10H13BrO2S/c11-10-8(4-6-14-10)7-13-9-3-1-2-5-12-9/h4,6,9H,1-3,5,7H2
InChIKeyGPWLIRBTSHSLGD-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.55
Rot. Bonds3

About 2-[(2-bromothiophen-3-yl)methoxy]oxane

2-[(2-bromothiophen-3-yl)methoxy]oxane (PubChem CID 20815950) has the molecular formula C10H13BrO2S and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-[(2-bromothiophen-3-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2-bromothiophen-3-yl)methoxy]oxane
PubChem CID20815950
Molecular FormulaC10H13BrO2S
Molecular Weight277.18 g/mol
Exact Mass275.98
IUPAC Name2-[(2-bromothiophen-3-yl)methoxy]oxane
SMILESBrc1sccc1COC1CCCCO1
InChIInChI=1S/C10H13BrO2S/c11-10-8(4-6-14-10)7-13-9-3-1-2-5-12-9/h4,6,9H,1-3,5,7H2
InChIKeyGPWLIRBTSHSLGD-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[11-(2-bromothiophen-3-yl)undecoxy]oxane
CID 15538798
3-(oxan-2-yloxymethyl)thiophene-2-carbonitrile
CID 148635999
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[[2-(4-methylsulfanylphenyl)thiophen-3-yl]methoxy]oxane
CID 54432841
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane
CID 59218386
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole
CID 147113230
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromothiophen-3-yl)methoxy]oxane?
The IUPAC name of 2-[(2-bromothiophen-3-yl)methoxy]oxane (CID 20815950) is 2-[(2-bromothiophen-3-yl)methoxy]oxane.
What is the SMILES notation for 2-[(2-bromothiophen-3-yl)methoxy]oxane?
The canonical SMILES for 2-[(2-bromothiophen-3-yl)methoxy]oxane is Brc1sccc1COC1CCCCO1.
What is the InChIKey of 2-[(2-bromothiophen-3-yl)methoxy]oxane?
The InChIKey is GPWLIRBTSHSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2S/c11-10-8(4-6-14-10)7-13-9-3-1-2-5-12-9/h4,6,9H,1-3,5,7H2.
What are the key properties of 2-[(2-bromothiophen-3-yl)methoxy]oxane?
2-[(2-bromothiophen-3-yl)methoxy]oxane has a molecular weight of 277.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromothiophen-3-yl)methoxy]oxane is sourced from PubChem (CID 20815950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).