2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde

C16H13FO2S — CID 115955736

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCC1CSc2ccccc21
InChIInChI=1S/C16H13FO2S/c17-14-6-3-4-11(8-18)16(14)19-9-12-10-20-15-7-2-1-5-13(12)15/h1-8,12H,9-10H2
InChIKeyXBKUDTKSCCPMKU-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.91
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde

2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde (PubChem CID 115955736) has the molecular formula C16H13FO2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
PubChem CID115955736
Molecular FormulaC16H13FO2S
Molecular Weight288.34 g/mol
Exact Mass288.06
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCC1CSc2ccccc21
InChIInChI=1S/C16H13FO2S/c17-14-6-3-4-11(8-18)16(14)19-9-12-10-20-15-7-2-1-5-13(12)15/h1-8,12H,9-10H2
InChIKeyXBKUDTKSCCPMKU-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.91
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 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde (CID 115955736) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde is O=Cc1cccc(F)c1OCC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
The InChIKey is XBKUDTKSCCPMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2S/c17-14-6-3-4-11(8-18)16(14)19-9-12-10-20-15-7-2-1-5-13(12)15/h1-8,12H,9-10H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde has a molecular weight of 288.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 115955736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).