3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile

C13H11NO2S — CID 43646133

IUPAC3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1ccsc1
InChIInChI=1S/C13H11NO2S/c1-15-13-6-10(7-14)2-3-12(13)16-8-11-4-5-17-9-11/h2-6,9H,8H2,1H3
InChIKeyFGMUVVGZRBZDSK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.21
Rot. Bonds4

About 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile

3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile (PubChem CID 43646133) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
PubChem CID43646133
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1ccsc1
InChIInChI=1S/C13H11NO2S/c1-15-13-6-10(7-14)2-3-12(13)16-8-11-4-5-17-9-11/h2-6,9H,8H2,1H3
InChIKeyFGMUVVGZRBZDSK-UHFFFAOYSA-N
XLogP3.21
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
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3-methoxy-4-(thiophen-3-ylmethoxy)aniline
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3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
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3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
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4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
3-methoxy-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methoxy]benzonitrile
CID 80610430
3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 4808212
3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
CID 17499743
3-methoxy-4-(2-thiophen-2-ylethoxy)benzonitrile
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3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760137

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile?
The IUPAC name of 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile (CID 43646133) is 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile?
The canonical SMILES for 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile is COc1cc(C#N)ccc1OCc1ccsc1.
What is the InChIKey of 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile?
The InChIKey is FGMUVVGZRBZDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-15-13-6-10(7-14)2-3-12(13)16-8-11-4-5-17-9-11/h2-6,9H,8H2,1H3.
What are the key properties of 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile?
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile has a molecular weight of 245.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile is sourced from PubChem (CID 43646133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).