4-(4-methoxyphenyl)thiophene-2-carbaldehyde

C12H10O2S — CID 11206736

IUPAC4-(4-methoxyphenyl)thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2csc(C=O)c2)cc1
InChIInChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)10-6-12(7-13)15-8-10/h2-8H,1H3
InChIKeyQHFFOHGKCLHHFU-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.24
Rot. Bonds3

About 4-(4-methoxyphenyl)thiophene-2-carbaldehyde

4-(4-methoxyphenyl)thiophene-2-carbaldehyde (PubChem CID 11206736) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-methoxyphenyl)thiophene-2-carbaldehyde
PubChem CID11206736
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name4-(4-methoxyphenyl)thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2csc(C=O)c2)cc1
InChIInChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)10-6-12(7-13)15-8-10/h2-8H,1H3
InChIKeyQHFFOHGKCLHHFU-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 4-(4-methoxyphenyl)thiophene-2-carbaldehyde (CID 11206736) is 4-(4-methoxyphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(4-methoxyphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 4-(4-methoxyphenyl)thiophene-2-carbaldehyde is COc1ccc(-c2csc(C=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)thiophene-2-carbaldehyde?
The InChIKey is QHFFOHGKCLHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)10-6-12(7-13)15-8-10/h2-8H,1H3.
What are the key properties of 4-(4-methoxyphenyl)thiophene-2-carbaldehyde?
4-(4-methoxyphenyl)thiophene-2-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 11206736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).