3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde

C13H12OS — CID 150115001

IUPAC3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1ccccc1-c1cc(C)c(C=O)s1
InChIInChI=1S/C13H12OS/c1-9-5-3-4-6-11(9)12-7-10(2)13(8-14)15-12/h3-8H,1-2H3
InChIKeyDYBCCXDHEHSMOP-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.84
Rot. Bonds2

About 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde

3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde (PubChem CID 150115001) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde
PubChem CID150115001
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde
SMILESCc1ccccc1-c1cc(C)c(C=O)s1
InChIInChI=1S/C13H12OS/c1-9-5-3-4-6-11(9)12-7-10(2)13(8-14)15-12/h3-8H,1-2H3
InChIKeyDYBCCXDHEHSMOP-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde (CID 150115001) is 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde is Cc1ccccc1-c1cc(C)c(C=O)s1.
What is the InChIKey of 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde?
The InChIKey is DYBCCXDHEHSMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-9-5-3-4-6-11(9)12-7-10(2)13(8-14)15-12/h3-8H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde?
3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde has a molecular weight of 216.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 150115001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).