5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde

C12H9BrO2S — CID 43646173

IUPAC5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccsc1
InChIInChI=1S/C12H9BrO2S/c13-11-1-2-12(10(5-11)6-14)15-7-9-3-4-16-8-9/h1-6,8H,7H2
InChIKeySXZBCILRMFGPJO-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde

5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde (PubChem CID 43646173) has the molecular formula C12H9BrO2S and a molecular weight of 297.17 g/mol. Its IUPAC name is 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
PubChem CID43646173
Molecular FormulaC12H9BrO2S
Molecular Weight297.17 g/mol
Exact Mass295.95
IUPAC Name5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccsc1
InChIInChI=1S/C12H9BrO2S/c13-11-1-2-12(10(5-11)6-14)15-7-9-3-4-16-8-9/h1-6,8H,7H2
InChIKeySXZBCILRMFGPJO-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
CID 50888934
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
CID 28838282
1-[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]ethanol
CID 62381389
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 2063319
2-(4-bromo-2-formylphenoxy)acetonitrile
CID 3679753
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 10537643
N-[[5-bromo-2-(thiophen-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60881620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde?
The IUPAC name of 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde (CID 43646173) is 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde is O=Cc1cc(Br)ccc1OCc1ccsc1.
What is the InChIKey of 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde?
The InChIKey is SXZBCILRMFGPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2S/c13-11-1-2-12(10(5-11)6-14)15-7-9-3-4-16-8-9/h1-6,8H,7H2.
What are the key properties of 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde?
5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde has a molecular weight of 297.17 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 43646173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).