1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde

C16H13NO2S — CID 102176818

IUPAC1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde
SMILESCOc1ccc(-n2ccc(C=O)c2-c2cccs2)cc1
InChIInChI=1S/C16H13NO2S/c1-19-14-6-4-13(5-7-14)17-9-8-12(11-18)16(17)15-3-2-10-20-15/h2-11H,1H3
InChIKeyFOITZFCZGGTKCY-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde

1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde (PubChem CID 102176818) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde
PubChem CID102176818
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde
SMILESCOc1ccc(-n2ccc(C=O)c2-c2cccs2)cc1
InChIInChI=1S/C16H13NO2S/c1-19-14-6-4-13(5-7-14)17-9-8-12(11-18)16(17)15-3-2-10-20-15/h2-11H,1H3
InChIKeyFOITZFCZGGTKCY-UHFFFAOYSA-N
XLogP4.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.03
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

8H-Thieno[2,3-b]pyrrolizin-8-one, 3-(4-ethoxyphenyl)-
CID 9882628
3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one
CID 385455
N-(4-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 2742293
N'-(3-methoxybenzoyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 3829836
3-(4-Propoxyphenyl)thieno[2,3-b]pyrrolizin-8-one
CID 9839638
N-(4-methoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1088994
{1-[2-(4-fluorophenoxy)ethyl]-1H-indol-3-yl}(thiophen-2-yl)methanone
CID 3619432
{1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}(thiophen-2-yl)methanone
CID 5043397
{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}(thiophen-2-yl)methanone
CID 5043514
N-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 3753051
1-[2-(2-Fluorophenoxy)ethyl]indol-3-yl 2-thienyl ketone
CID 1290594
N-(4-ethoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1292707

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde (CID 102176818) is 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde is COc1ccc(-n2ccc(C=O)c2-c2cccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde?
The InChIKey is FOITZFCZGGTKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-19-14-6-4-13(5-7-14)17-9-8-12(11-18)16(17)15-3-2-10-20-15/h2-11H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde?
1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde has a molecular weight of 283.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-thiophen-2-ylpyrrole-3-carbaldehyde is sourced from PubChem (CID 102176818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).