5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde

C15H16OS — CID 82478736

IUPAC5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
SMILESCc1cc(C)c(C)c(-c2ccc(C=O)s2)c1C
InChIInChI=1S/C15H16OS/c1-9-7-10(2)12(4)15(11(9)3)14-6-5-13(8-16)17-14/h5-8H,1-4H3
InChIKeyPMZRPGKCTYMUNS-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.46
Rot. Bonds2

About 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde

5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde (PubChem CID 82478736) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
PubChem CID82478736
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
SMILESCc1cc(C)c(C)c(-c2ccc(C=O)s2)c1C
InChIInChI=1S/C15H16OS/c1-9-7-10(2)12(4)15(11(9)3)14-6-5-13(8-16)17-14/h5-8H,1-4H3
InChIKeyPMZRPGKCTYMUNS-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-(5-fluoro-2-methylphenyl)thiophene-2-carbaldehyde
CID 43153940
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
CID 43363606
5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 103586904
5-[5-[5-(2,4,6-trimethoxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 102455089
5-(4-chloro-5-methyl-2-pyridinyl)thiophene-2-carbaldehyde
CID 178134036
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde
CID 141257855
3-ethyl-4-[3-ethyl-4-(5-formylthiophen-2-yl)-5-methylphenyl]-5-methylbenzoic acid
CID 141257802
5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257761
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde (CID 82478736) is 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde is Cc1cc(C)c(C)c(-c2ccc(C=O)s2)c1C.
What is the InChIKey of 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde?
The InChIKey is PMZRPGKCTYMUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-9-7-10(2)12(4)15(11(9)3)14-6-5-13(8-16)17-14/h5-8H,1-4H3.
What are the key properties of 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde?
5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde has a molecular weight of 244.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82478736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).