1-ethoxy-4-methylbenzene;2-methylthiophene

C14H18OS — CID 165083853

IUPAC1-ethoxy-4-methylbenzene;2-methylthiophene
SMILESCCOc1ccc(C)cc1.Cc1cccs1
InChIInChI=1S/C9H12O.C5H6S/c1-3-10-9-6-4-8(2)5-7-9;1-5-3-2-4-6-5/h4-7H,3H2,1-2H3;2-4H,1H3
InChIKeyVOHUIXFLSOMPED-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.45
Rot. Bonds2

About 1-ethoxy-4-methylbenzene;2-methylthiophene

1-ethoxy-4-methylbenzene;2-methylthiophene (PubChem CID 165083853) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-ethoxy-4-methylbenzene;2-methylthiophene.

Molecular Properties

Compound Name1-ethoxy-4-methylbenzene;2-methylthiophene
PubChem CID165083853
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-ethoxy-4-methylbenzene;2-methylthiophene
SMILESCCOc1ccc(C)cc1.Cc1cccs1
InChIInChI=1S/C9H12O.C5H6S/c1-3-10-9-6-4-8(2)5-7-9;1-5-3-2-4-6-5/h4-7H,3H2,1-2H3;2-4H,1H3
InChIKeyVOHUIXFLSOMPED-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
2-methylthiophene;toluene
CID 142082990
2-methylthiophene;hydroiodide
CID 173425781
ethane;2-methylthiophene
CID 90990568
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
1-(4-ethoxyphenyl)-1-(4-methylphenyl)ethanamine
CID 62788691
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
2,7-dimethylthionine
CID 144983268
4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylbenzene;2-methylthiophene?
The IUPAC name of 1-ethoxy-4-methylbenzene;2-methylthiophene (CID 165083853) is 1-ethoxy-4-methylbenzene;2-methylthiophene.
What is the SMILES notation for 1-ethoxy-4-methylbenzene;2-methylthiophene?
The canonical SMILES for 1-ethoxy-4-methylbenzene;2-methylthiophene is CCOc1ccc(C)cc1.Cc1cccs1.
What is the InChIKey of 1-ethoxy-4-methylbenzene;2-methylthiophene?
The InChIKey is VOHUIXFLSOMPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C5H6S/c1-3-10-9-6-4-8(2)5-7-9;1-5-3-2-4-6-5/h4-7H,3H2,1-2H3;2-4H,1H3.
What are the key properties of 1-ethoxy-4-methylbenzene;2-methylthiophene?
1-ethoxy-4-methylbenzene;2-methylthiophene has a molecular weight of 234.36 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylbenzene;2-methylthiophene is sourced from PubChem (CID 165083853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).