2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol

C12H17BrO2S — CID 116875387

IUPAC2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)C1(c2cc(Br)cs2)COC1
InChIInChI=1S/C12H17BrO2S/c1-8(2)10(4-14)12(6-15-7-12)11-3-9(13)5-16-11/h3,5,8,10,14H,4,6-7H2,1-2H3
InChIKeyUVXHNLBTUGJNGW-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.04
Rot. Bonds4

About 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol

2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol (PubChem CID 116875387) has the molecular formula C12H17BrO2S and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol
PubChem CID116875387
Molecular FormulaC12H17BrO2S
Molecular Weight305.24 g/mol
Exact Mass304.01
IUPAC Name2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)C1(c2cc(Br)cs2)COC1
InChIInChI=1S/C12H17BrO2S/c1-8(2)10(4-14)12(6-15-7-12)11-3-9(13)5-16-11/h3,5,8,10,14H,4,6-7H2,1-2H3
InChIKeyUVXHNLBTUGJNGW-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine
CID 116870593
[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
CID 116829631
1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanone
CID 116873739
[3-[(4-bromothiophen-2-yl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912982
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanethiol
CID 116872566
[(3R)-4-amino-4-(4-bromothiophen-2-yl)oxan-3-yl]methanol
CID 91153468
[1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874944
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116872211
1-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]piperazine
CID 116873099
2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
CID 116871185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol?
The IUPAC name of 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol (CID 116875387) is 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol is CC(C)C(CO)C1(c2cc(Br)cs2)COC1.
What is the InChIKey of 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol?
The InChIKey is UVXHNLBTUGJNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2S/c1-8(2)10(4-14)12(6-15-7-12)11-3-9(13)5-16-11/h3,5,8,10,14H,4,6-7H2,1-2H3.
What are the key properties of 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol?
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol has a molecular weight of 305.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 116875387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).