3-[(2-methoxyphenoxy)methyl]-1-benzothiophene

C16H14O2S — CID 117170894

IUPAC3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
SMILESCOc1ccccc1OCc1csc2ccccc12
InChIInChI=1S/C16H14O2S/c1-17-14-7-3-4-8-15(14)18-10-12-11-19-16-9-5-2-6-13(12)16/h2-9,11H,10H2,1H3
InChIKeyYMKBULVYQAGNCA-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.49
Rot. Bonds4

About 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene

3-[(2-methoxyphenoxy)methyl]-1-benzothiophene (PubChem CID 117170894) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
PubChem CID117170894
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
SMILESCOc1ccccc1OCc1csc2ccccc12
InChIInChI=1S/C16H14O2S/c1-17-14-7-3-4-8-15(14)18-10-12-11-19-16-9-5-2-6-13(12)16/h2-9,11H,10H2,1H3
InChIKeyYMKBULVYQAGNCA-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
5-fluoro-3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117174725
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
2-(1-benzothiophen-3-ylmethoxy)benzenecarbothioamide
CID 63744852
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-benzothiophene
CID 63737043
3-[(2-bromo-4-methylphenoxy)methyl]-1-benzothiophene
CID 63742992
3-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-1-benzothiophene
CID 141154304
3-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-1-benzothiophene
CID 114320887
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
N-(1-benzothiophen-3-ylmethyl)-3,4-dimethoxyaniline
CID 60962379
(1S)-1-[2-(1-benzothiophen-3-ylmethoxy)-5-methylphenyl]ethanamine
CID 78950722
1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine
CID 63743330

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene?
The IUPAC name of 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene (CID 117170894) is 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene.
What is the SMILES notation for 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene?
The canonical SMILES for 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene is COc1ccccc1OCc1csc2ccccc12.
What is the InChIKey of 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene?
The InChIKey is YMKBULVYQAGNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-17-14-7-3-4-8-15(14)18-10-12-11-19-16-9-5-2-6-13(12)16/h2-9,11H,10H2,1H3.
What are the key properties of 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene?
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene has a molecular weight of 270.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenoxy)methyl]-1-benzothiophene is sourced from PubChem (CID 117170894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).