5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde

C18H16OS2 — CID 141257890

IUPAC5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCCc1cc(C)cc(-c2ccc(-c3ccc(C=O)s3)s2)c1
InChIInChI=1S/C18H16OS2/c1-3-13-8-12(2)9-14(10-13)16-6-7-18(21-16)17-5-4-15(11-19)20-17/h4-11H,3H2,1-2H3
InChIKeyXVLZJHMRQRFORW-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.83
Rot. Bonds4

About 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde

5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 141257890) has the molecular formula C18H16OS2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID141257890
Molecular FormulaC18H16OS2
Molecular Weight312.46 g/mol
Exact Mass312.06
IUPAC Name5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCCc1cc(C)cc(-c2ccc(-c3ccc(C=O)s3)s2)c1
InChIInChI=1S/C18H16OS2/c1-3-13-8-12(2)9-14(10-13)16-6-7-18(21-16)17-5-4-15(11-19)20-17/h4-11H,3H2,1-2H3
InChIKeyXVLZJHMRQRFORW-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde
CID 141257855
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257761
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257882
5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
CID 23080398
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
CID 43363606
3-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]prop-2-enoic acid
CID 79050471
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
2-(4-ethylphenyl)-5-[5-[5-[5-[5-[5-(4-ethylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 139982263
5-[5-(3,5-diethyl-4-formylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257790

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde (CID 141257890) is 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde is CCc1cc(C)cc(-c2ccc(-c3ccc(C=O)s3)s2)c1.
What is the InChIKey of 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is XVLZJHMRQRFORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS2/c1-3-13-8-12(2)9-14(10-13)16-6-7-18(21-16)17-5-4-15(11-19)20-17/h4-11H,3H2,1-2H3.
What are the key properties of 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 312.46 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-ethyl-5-methylphenyl)thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 141257890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).