(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

C9H9BrO3S — CID 116922567

IUPAC(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESO=C(c1ccc(Br)s1)C1(CO)COC1
InChIInChI=1S/C9H9BrO3S/c10-7-2-1-6(14-7)8(12)9(3-11)4-13-5-9/h1-2,11H,3-5H2
InChIKeyFISBIRMMHKSGAW-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.70
Rot. Bonds3

About (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (PubChem CID 116922567) has the molecular formula C9H9BrO3S and a molecular weight of 277.14 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
PubChem CID116922567
Molecular FormulaC9H9BrO3S
Molecular Weight277.14 g/mol
Exact Mass275.95
IUPAC Name(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESO=C(c1ccc(Br)s1)C1(CO)COC1
InChIInChI=1S/C9H9BrO3S/c10-7-2-1-6(14-7)8(12)9(3-11)4-13-5-9/h1-2,11H,3-5H2
InChIKeyFISBIRMMHKSGAW-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone with MolForge

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Related Compounds

3-[[(5-bromothiophen-2-yl)amino]methyl]oxetane-3-carboxylic acid
CID 115248278
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]oxetane-3-carboxylic acid
CID 115248512
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291001
(3,4-dimethylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922540
(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922539
1,3-bis(5-bromothiophen-2-yl)propan-1-one
CID 71671757
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913
1-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 66023531
1-[3-(5-bromothiophen-2-yl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874687
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
2-(5-bromothiophen-2-yl)prop-2-enoic acid
CID 82289977
1-(5-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82119052

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (CID 116922567) is (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is O=C(c1ccc(Br)s1)C1(CO)COC1.
What is the InChIKey of (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The InChIKey is FISBIRMMHKSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3S/c10-7-2-1-6(14-7)8(12)9(3-11)4-13-5-9/h1-2,11H,3-5H2.
What are the key properties of (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone has a molecular weight of 277.14 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is sourced from PubChem (CID 116922567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).