5-(3-methoxyphenyl)thiophene-2-carbonitrile

C12H9NOS — CID 82078599

IUPAC5-(3-methoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C12H9NOS/c1-14-10-4-2-3-9(7-10)12-6-5-11(8-13)15-12/h2-7H,1H3
InChIKeyPENXIEHRGAEJMB-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.30
Rot. Bonds2

About 5-(3-methoxyphenyl)thiophene-2-carbonitrile

5-(3-methoxyphenyl)thiophene-2-carbonitrile (PubChem CID 82078599) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxyphenyl)thiophene-2-carbonitrile
PubChem CID82078599
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name5-(3-methoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C12H9NOS/c1-14-10-4-2-3-9(7-10)12-6-5-11(8-13)15-12/h2-7H,1H3
InChIKeyPENXIEHRGAEJMB-UHFFFAOYSA-N
XLogP3.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethynyl-5-(3-methoxyphenyl)thiophene
CID 146676306
5-(3,4-dimethoxyphenyl)thiophene-2-carbonitrile
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2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172
5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile
CID 55030874
azane;1-methoxy-3-(3-methoxyphenyl)benzene
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1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(3-methoxyphenyl)-5-(4-methoxy-3-phenylphenyl)thiophene
CID 44542351
3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine
CID 170878912
sodium [5-(3-methoxyphenyl)thiophen-2-yl] sulfate
CID 23664900
4-(3-methoxyphenyl)-1,3-dithiole-2-thione
CID 134954448
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(3-methoxyphenyl)thiophene-2-carbonitrile (CID 82078599) is 5-(3-methoxyphenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(3-methoxyphenyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(3-methoxyphenyl)thiophene-2-carbonitrile is COc1cccc(-c2ccc(C#N)s2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)thiophene-2-carbonitrile?
The InChIKey is PENXIEHRGAEJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-14-10-4-2-3-9(7-10)12-6-5-11(8-13)15-12/h2-7H,1H3.
What are the key properties of 5-(3-methoxyphenyl)thiophene-2-carbonitrile?
5-(3-methoxyphenyl)thiophene-2-carbonitrile has a molecular weight of 215.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 82078599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).