[2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol

C9H11BrO2S — CID 126978566

IUPAC[2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol
SMILESOCC1CCOC1c1cscc1Br
InChIInChI=1S/C9H11BrO2S/c10-8-5-13-4-7(8)9-6(3-11)1-2-12-9/h4-6,9,11H,1-3H2
InChIKeyUAPJQZUDTVBPQN-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.58
Rot. Bonds2

About [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol

[2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol (PubChem CID 126978566) has the molecular formula C9H11BrO2S and a molecular weight of 263.16 g/mol. Its IUPAC name is [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol
PubChem CID126978566
Molecular FormulaC9H11BrO2S
Molecular Weight263.16 g/mol
Exact Mass261.97
IUPAC Name[2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol
SMILESOCC1CCOC1c1cscc1Br
InChIInChI=1S/C9H11BrO2S/c10-8-5-13-4-7(8)9-6(3-11)1-2-12-9/h4-6,9,11H,1-3H2
InChIKeyUAPJQZUDTVBPQN-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol?
The IUPAC name of [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol (CID 126978566) is [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol?
The canonical SMILES for [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol is OCC1CCOC1c1cscc1Br.
What is the InChIKey of [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol?
The InChIKey is UAPJQZUDTVBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2S/c10-8-5-13-4-7(8)9-6(3-11)1-2-12-9/h4-6,9,11H,1-3H2.
What are the key properties of [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol?
[2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol has a molecular weight of 263.16 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-3-yl)oxolan-3-yl]methanol is sourced from PubChem (CID 126978566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).