2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one

C12H18O2S — CID 102831102

IUPAC2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one
SMILESCCCC(OCC)C(=O)c1ccsc1C
InChIInChI=1S/C12H18O2S/c1-4-6-11(14-5-2)12(13)10-7-8-15-9(10)3/h7-8,11H,4-6H2,1-3H3
InChIKeyLQZDSVFXYKNQRZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.44
Rot. Bonds6

About 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one

2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one (PubChem CID 102831102) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one
PubChem CID102831102
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one
SMILESCCCC(OCC)C(=O)c1ccsc1C
InChIInChI=1S/C12H18O2S/c1-4-6-11(14-5-2)12(13)10-7-8-15-9(10)3/h7-8,11H,4-6H2,1-3H3
InChIKeyLQZDSVFXYKNQRZ-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831100
1-(2-methylthiophen-3-yl)-2-propylpentan-1-one
CID 102839853
1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
CID 116707740
1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one
CID 116707827
2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102752803
1-(3-bromo-2-fluorophenyl)-2-ethoxypentan-1-one
CID 106644947
2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 116707896
bis(2-methylthiophen-3-yl)methanone
CID 101441488
4-ethoxy-1-thiophen-2-ylheptan-3-one
CID 116707732
2-ethoxy-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 116707780
1-(2-methylthiophen-3-yl)-2,2-diphenylethanone
CID 102830616
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one?
The IUPAC name of 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one (CID 102831102) is 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one.
What is the SMILES notation for 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one?
The canonical SMILES for 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one is CCCC(OCC)C(=O)c1ccsc1C.
What is the InChIKey of 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one?
The InChIKey is LQZDSVFXYKNQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-4-6-11(14-5-2)12(13)10-7-8-15-9(10)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one?
2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one has a molecular weight of 226.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one is sourced from PubChem (CID 102831102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).