2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde

C12H9FO3S — CID 22010372

IUPAC2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1c(O)cc(OCc2ccsc2)cc1F
InChIInChI=1S/C12H9FO3S/c13-11-3-9(4-12(15)10(11)5-14)16-6-8-1-2-17-7-8/h1-5,7,15H,6H2
InChIKeyHOLQTNRUZVZTGM-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.98
Rot. Bonds4

About 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde

2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde (PubChem CID 22010372) has the molecular formula C12H9FO3S and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
PubChem CID22010372
Molecular FormulaC12H9FO3S
Molecular Weight252.27 g/mol
Exact Mass252.03
IUPAC Name2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1c(O)cc(OCc2ccsc2)cc1F
InChIInChI=1S/C12H9FO3S/c13-11-3-9(4-12(15)10(11)5-14)16-6-8-1-2-17-7-8/h1-5,7,15H,6H2
InChIKeyHOLQTNRUZVZTGM-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The IUPAC name of 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde (CID 22010372) is 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde is O=Cc1c(O)cc(OCc2ccsc2)cc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
The InChIKey is HOLQTNRUZVZTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3S/c13-11-3-9(4-12(15)10(11)5-14)16-6-8-1-2-17-7-8/h1-5,7,15H,6H2.
What are the key properties of 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde?
2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde has a molecular weight of 252.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 22010372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).