4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile

C14H13NO2S — CID 81306221

IUPAC4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCc2cccs2)c1
InChIInChI=1S/C14H13NO2S/c1-16-12-5-4-11(10-15)14(9-12)17-7-6-13-3-2-8-18-13/h2-5,8-9H,6-7H2,1H3
InChIKeyCIHLOYVSFDRTSR-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.25
Rot. Bonds5

About 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile

4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile (PubChem CID 81306221) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
PubChem CID81306221
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCc2cccs2)c1
InChIInChI=1S/C14H13NO2S/c1-16-12-5-4-11(10-15)14(9-12)17-7-6-13-3-2-8-18-13/h2-5,8-9H,6-7H2,1H3
InChIKeyCIHLOYVSFDRTSR-UHFFFAOYSA-N
XLogP3.25
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806
[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methanol
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4-methoxy-2-(3-phenylpropoxy)benzonitrile
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5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
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4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629
(1S)-1-[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 82002105
3-methoxy-4-(2-thiophen-2-ylethoxy)benzonitrile
CID 55235730
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
CID 22996186
2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzonitrile
CID 20992087
4-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzonitrile
CID 106447586
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 103567669
2-methoxy-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 106788108

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile?
The IUPAC name of 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile (CID 81306221) is 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile?
The canonical SMILES for 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile is COc1ccc(C#N)c(OCCc2cccs2)c1.
What is the InChIKey of 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile?
The InChIKey is CIHLOYVSFDRTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-16-12-5-4-11(10-15)14(9-12)17-7-6-13-3-2-8-18-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile?
4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile has a molecular weight of 259.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile is sourced from PubChem (CID 81306221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).