3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene

C17H18O2S — CID 79403765

IUPAC3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
SMILESCCOc1ccccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H18O2S/c1-2-18-15-8-4-5-9-16(15)19-11-13-12-20-17-10-6-3-7-14(13)17/h3-10,13H,2,11-12H2,1H3
InChIKeyHWXYHRBDRSKIRU-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.35
Rot. Bonds5

About 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene

3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene (PubChem CID 79403765) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
PubChem CID79403765
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
SMILESCCOc1ccccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H18O2S/c1-2-18-15-8-4-5-9-16(15)19-11-13-12-20-17-10-6-3-7-14(13)17/h3-10,13H,2,11-12H2,1H3
InChIKeyHWXYHRBDRSKIRU-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
3-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol
CID 79215081
3-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 114321048
(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 102949246
(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 79215174
[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205776
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-ethylthiophene-2-carboxylic acid
CID 79205672

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
The IUPAC name of 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene (CID 79403765) is 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene is CCOc1ccccc1OCC1CSc2ccccc21.
What is the InChIKey of 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
The InChIKey is HWXYHRBDRSKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-2-18-15-8-4-5-9-16(15)19-11-13-12-20-17-10-6-3-7-14(13)17/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene?
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene has a molecular weight of 286.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 79403765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).