1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone

C11H14O2S — CID 130943651

IUPAC1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone
SMILESCc1csc(C(=O)CC2CCOC2)c1
InChIInChI=1S/C11H14O2S/c1-8-4-11(14-7-8)10(12)5-9-2-3-13-6-9/h4,7,9H,2-3,5-6H2,1H3
InChIKeyBXMIDIBQBCXPNP-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone

1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone (PubChem CID 130943651) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone
PubChem CID130943651
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone
SMILESCc1csc(C(=O)CC2CCOC2)c1
InChIInChI=1S/C11H14O2S/c1-8-4-11(14-7-8)10(12)5-9-2-3-13-6-9/h4,7,9H,2-3,5-6H2,1H3
InChIKeyBXMIDIBQBCXPNP-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
CID 103986180
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone
CID 103986189
N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide
CID 99996481
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanone
CID 105091941
1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone
CID 130900994
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone (CID 130943651) is 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone is Cc1csc(C(=O)CC2CCOC2)c1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone?
The InChIKey is BXMIDIBQBCXPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-4-11(14-7-8)10(12)5-9-2-3-13-6-9/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone?
1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone has a molecular weight of 210.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 130943651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).