[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone

C10H12O3S — CID 116922663

IUPAC[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1(CO)COC1
InChIInChI=1S/C10H12O3S/c1-7-2-3-14-8(7)9(12)10(4-11)5-13-6-10/h2-3,11H,4-6H2,1H3
InChIKeyPLQFJHUVBJLGJD-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.25
Rot. Bonds3

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

[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 116922663) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID116922663
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1(CO)COC1
InChIInChI=1S/C10H12O3S/c1-7-2-3-14-8(7)9(12)10(4-11)5-13-6-10/h2-3,11H,4-6H2,1H3
InChIKeyPLQFJHUVBJLGJD-UHFFFAOYSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922540
[3-(hydroxymethyl)oxetan-3-yl]-(6-methyl-1,3-benzodioxol-5-yl)methanone
CID 116922646
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
1-(hydroxymethyl)-N-methyl-N-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 115182201
(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922539
[1-(dimethylamino)cyclopentyl]-(3-methylthiophen-2-yl)methanone
CID 79991094
(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922567
[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
CID 116922657
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
(1-methoxycyclopentyl)-(3-methylthiophen-2-yl)methanone
CID 104610097
2-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)butan-1-one
CID 116747596

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone (CID 116922663) is [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)C1(CO)COC1.
What is the InChIKey of [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is PLQFJHUVBJLGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-7-2-3-14-8(7)9(12)10(4-11)5-13-6-10/h2-3,11H,4-6H2,1H3.
What are the key properties of [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone?
[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 212.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 116922663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).