2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol

C10H13BrO2S — CID 65148115

IUPAC2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol
SMILESOC(Cc1sccc1Br)C1CCOC1
InChIInChI=1S/C10H13BrO2S/c11-8-2-4-14-10(8)5-9(12)7-1-3-13-6-7/h2,4,7,9,12H,1,3,5-6H2
InChIKeyQVCHJWNUGZVIPL-UHFFFAOYSA-N
MW277.18 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol (PubChem CID 65148115) has the molecular formula C10H13BrO2S and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol
PubChem CID65148115
Molecular FormulaC10H13BrO2S
Molecular Weight277.18 g/mol
Exact Mass275.98
IUPAC Name2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol
SMILESOC(Cc1sccc1Br)C1CCOC1
InChIInChI=1S/C10H13BrO2S/c11-8-2-4-14-10(8)5-9(12)7-1-3-13-6-7/h2,4,7,9,12H,1,3,5-6H2
InChIKeyQVCHJWNUGZVIPL-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105091001
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1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
4-[(3-bromothiophen-2-yl)methoxymethyl]oxane
CID 55211253
1-(oxolan-3-yl)-2-pyridin-2-ylethanol
CID 63562842
1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312488
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
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2-anilino-1-(oxolan-3-yl)ethanol
CID 82239516
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CID 103038984

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol (CID 65148115) is 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol is OC(Cc1sccc1Br)C1CCOC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol?
The InChIKey is QVCHJWNUGZVIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2S/c11-8-2-4-14-10(8)5-9(12)7-1-3-13-6-7/h2,4,7,9,12H,1,3,5-6H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol has a molecular weight of 277.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 65148115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).