5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile

C14H11NO2S — CID 172651010

IUPAC5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile
SMILESCCOc1ccc(C=O)cc1-c1ccc(C#N)s1
InChIInChI=1S/C14H11NO2S/c1-2-17-13-5-3-10(9-16)7-12(13)14-6-4-11(8-15)18-14/h3-7,9H,2H2,1H3
InChIKeyYULAFFKVCGHYHS-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.50
Rot. Bonds4

About 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile

5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile (PubChem CID 172651010) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile
PubChem CID172651010
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile
SMILESCCOc1ccc(C=O)cc1-c1ccc(C#N)s1
InChIInChI=1S/C14H11NO2S/c1-2-17-13-5-3-10(9-16)7-12(13)14-6-4-11(8-15)18-14/h3-7,9H,2H2,1H3
InChIKeyYULAFFKVCGHYHS-UHFFFAOYSA-N
XLogP3.50
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-[4-(difluoromethyl)phenyl]-4-ethoxybenzaldehyde
CID 172651369
3-[(2R)-butan-2-yl]-4-ethoxybenzaldehyde
CID 86324040
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
2-[1-[(2-ethoxy-4-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65496923
2-ethoxy-4,6-diformylbenzonitrile
CID 171031040
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165
5-(3-fluoro-5-formylphenyl)thiophene-2-carbonitrile
CID 172651014

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile (CID 172651010) is 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile is CCOc1ccc(C=O)cc1-c1ccc(C#N)s1.
What is the InChIKey of 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile?
The InChIKey is YULAFFKVCGHYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-2-17-13-5-3-10(9-16)7-12(13)14-6-4-11(8-15)18-14/h3-7,9H,2H2,1H3.
What are the key properties of 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile?
5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile has a molecular weight of 257.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-5-formylphenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 172651010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).