5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde

C12H8BrClO2S — CID 28838282

IUPAC5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccc(Cl)s1
InChIInChI=1S/C12H8BrClO2S/c13-9-1-3-11(8(5-9)6-15)16-7-10-2-4-12(14)17-10/h1-6H,7H2
InChIKeyFKCHEVNPVXBIJZ-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.56
Rot. Bonds4

About 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde

5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde (PubChem CID 28838282) has the molecular formula C12H8BrClO2S and a molecular weight of 331.62 g/mol. Its IUPAC name is 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
PubChem CID28838282
Molecular FormulaC12H8BrClO2S
Molecular Weight331.62 g/mol
Exact Mass329.91
IUPAC Name5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccc(Cl)s1
InChIInChI=1S/C12H8BrClO2S/c13-9-1-3-11(8(5-9)6-15)16-7-10-2-4-12(14)17-10/h1-6H,7H2
InChIKeyFKCHEVNPVXBIJZ-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.56
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-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde (CID 28838282) is 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCc1ccc(Cl)s1.
What is the InChIKey of 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde?
The InChIKey is FKCHEVNPVXBIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2S/c13-9-1-3-11(8(5-9)6-15)16-7-10-2-4-12(14)17-10/h1-6H,7H2.
What are the key properties of 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde?
5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde has a molecular weight of 331.62 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 28838282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).