(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

C12H15BrO2S — CID 80535009

IUPAC(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2sccc2Br)C1C
InChIInChI=1S/C12H15BrO2S/c1-6-7(2)15-8(3)10(6)11(14)12-9(13)4-5-16-12/h4-8,10H,1-3H3
InChIKeyZWQGQVKFSHCVRZ-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.75
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 80535009) has the molecular formula C12H15BrO2S and a molecular weight of 303.22 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID80535009
Molecular FormulaC12H15BrO2S
Molecular Weight303.22 g/mol
Exact Mass302.00
IUPAC Name(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2sccc2Br)C1C
InChIInChI=1S/C12H15BrO2S/c1-6-7(2)15-8(3)10(6)11(14)12-9(13)4-5-16-12/h4-8,10H,1-3H3
InChIKeyZWQGQVKFSHCVRZ-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 114973366
1,2-thiazol-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 130673495
(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824828
3-bromothiophene-2-carbonyl chloride
CID 2797569
(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561355
[5-(aminomethyl)oxolan-2-yl]-(3-bromothiophen-2-yl)methanone
CID 116589114
(3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560564
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
(3-bromothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methanone
CID 115385889
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(3-bromothiophen-2-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103715039
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 80535009) is (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)c2sccc2Br)C1C.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is ZWQGQVKFSHCVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2S/c1-6-7(2)15-8(3)10(6)11(14)12-9(13)4-5-16-12/h4-8,10H,1-3H3.
What are the key properties of (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 303.22 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 80535009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).