5-(3-methoxyphenyl)thiophene-2-carbaldehyde

C12H10O2S — CID 3587169

IUPAC5-(3-methoxyphenyl)thiophene-2-carbaldehyde
SMILESCOc1cccc(-c2ccc(C=O)s2)c1
InChIInChI=1S/C12H10O2S/c1-14-10-4-2-3-9(7-10)12-6-5-11(8-13)15-12/h2-8H,1H3
InChIKeyDLXLICDIIBNILO-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.24
Rot. Bonds3

About 5-(3-methoxyphenyl)thiophene-2-carbaldehyde

5-(3-methoxyphenyl)thiophene-2-carbaldehyde (PubChem CID 3587169) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-methoxyphenyl)thiophene-2-carbaldehyde
PubChem CID3587169
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name5-(3-methoxyphenyl)thiophene-2-carbaldehyde
SMILESCOc1cccc(-c2ccc(C=O)s2)c1
InChIInChI=1S/C12H10O2S/c1-14-10-4-2-3-9(7-10)12-6-5-11(8-13)15-12/h2-8H,1H3
InChIKeyDLXLICDIIBNILO-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 5-(3-methoxyphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3-methoxyphenyl)thiophene-2-carbaldehyde (CID 3587169) is 5-(3-methoxyphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3-methoxyphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3-methoxyphenyl)thiophene-2-carbaldehyde is COc1cccc(-c2ccc(C=O)s2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)thiophene-2-carbaldehyde?
The InChIKey is DLXLICDIIBNILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-14-10-4-2-3-9(7-10)12-6-5-11(8-13)15-12/h2-8H,1H3.
What are the key properties of 5-(3-methoxyphenyl)thiophene-2-carbaldehyde?
5-(3-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 5-(3-methoxyphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 3587169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).