3,4-Dimethoxy-5-thien-2-yl-benzaldehyde

HCID 21980985
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Basic information

Standard SMILES
COc1cc(C=O)cc(-c2cccs2)c1OC
InChIKey
YBBXXTIQSIKBMS-UHFFFAOYSA-N
Molecular formula
C13H12O3S
Average molar mass
248.3 g/mol

Names & identifiers

Preferred name
3,4-Dimethoxy-5-thien-2-yl-benzaldehyde
IUPAC
3,4-dimethoxy-5-thiophen-2-ylbenzaldehyde

Names & synonyms

SCHEMBL6040526YBBXXTIQSIKBMS-UHFFFAOYSA-N3,4-dimethoxy-5-thien-2-yl-benzaldehyde3,4-dimethoxy-5-(thien-2-yl)benzaldehyde

Database identifiers

PubChem CID
21980985

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
63.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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