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

C10H13BrO2S — CID 130921302

IUPAC2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol
SMILESOC(Cc1ccsc1Br)C1CCCO1
InChIInChI=1S/C10H13BrO2S/c11-10-7(3-5-14-10)6-8(12)9-2-1-4-13-9/h3,5,8-9,12H,1-2,4,6H2
InChIKeyOOUCJMJLAMAPCX-UHFFFAOYSA-N
MW277.18 g/mol
LogP2.59
Rot. Bonds3

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

2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol (PubChem CID 130921302) has the molecular formula C10H13BrO2S and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol
PubChem CID130921302
Molecular FormulaC10H13BrO2S
Molecular Weight277.18 g/mol
Exact Mass275.98
IUPAC Name2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol
SMILESOC(Cc1ccsc1Br)C1CCCO1
InChIInChI=1S/C10H13BrO2S/c11-10-7(3-5-14-10)6-8(12)9-2-1-4-13-9/h3,5,8-9,12H,1-2,4,6H2
InChIKeyOOUCJMJLAMAPCX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
2-(2-bromo-5-fluorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331133
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
CID 65331645
2-naphthalen-1-yl-1-(oxan-2-yl)ethanol
CID 115784699
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
2-(furan-3-yl)-1-(oxolan-2-yl)ethanol
CID 83172570
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol?
The IUPAC name of 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol (CID 130921302) is 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol?
The canonical SMILES for 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol is OC(Cc1ccsc1Br)C1CCCO1.
What is the InChIKey of 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol?
The InChIKey is OOUCJMJLAMAPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2S/c11-10-7(3-5-14-10)6-8(12)9-2-1-4-13-9/h3,5,8-9,12H,1-2,4,6H2.
What are the key properties of 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol?
2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol has a molecular weight of 277.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol is sourced from PubChem (CID 130921302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).