2-(1-ethoxyethyl)-5-methylthiophene

C9H14OS — CID 134421689

IUPAC2-(1-ethoxyethyl)-5-methylthiophene
SMILESCCOC(C)c1ccc(C)s1
InChIInChI=1S/C9H14OS/c1-4-10-8(3)9-6-5-7(2)11-9/h5-6,8H,4H2,1-3H3
InChIKeyBNMMJYAYZZZHGM-UHFFFAOYSA-N
MW170.28 g/mol
LogP3.15
Rot. Bonds3

About 2-(1-ethoxyethyl)-5-methylthiophene

2-(1-ethoxyethyl)-5-methylthiophene (PubChem CID 134421689) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5-methylthiophene
PubChem CID134421689
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-(1-ethoxyethyl)-5-methylthiophene
SMILESCCOC(C)c1ccc(C)s1
InChIInChI=1S/C9H14OS/c1-4-10-8(3)9-6-5-7(2)11-9/h5-6,8H,4H2,1-3H3
InChIKeyBNMMJYAYZZZHGM-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 79547244
2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116723225
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
2-[1-(6-bromohexoxy)propyl]-5-methylthiophene
CID 19996078
ethyl 2-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 64668783
2-(1-chloro-2-ethylbutyl)-5-methylthiophene
CID 63430748
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-5-methylthiophene?
The IUPAC name of 2-(1-ethoxyethyl)-5-methylthiophene (CID 134421689) is 2-(1-ethoxyethyl)-5-methylthiophene.
What is the SMILES notation for 2-(1-ethoxyethyl)-5-methylthiophene?
The canonical SMILES for 2-(1-ethoxyethyl)-5-methylthiophene is CCOC(C)c1ccc(C)s1.
What is the InChIKey of 2-(1-ethoxyethyl)-5-methylthiophene?
The InChIKey is BNMMJYAYZZZHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-4-10-8(3)9-6-5-7(2)11-9/h5-6,8H,4H2,1-3H3.
What are the key properties of 2-(1-ethoxyethyl)-5-methylthiophene?
2-(1-ethoxyethyl)-5-methylthiophene has a molecular weight of 170.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5-methylthiophene is sourced from PubChem (CID 134421689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).