2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde

C16H13FO2S — CID 107697470

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCC1Cc2ccccc2S1
InChIInChI=1S/C16H13FO2S/c17-13-5-6-15(12(7-13)9-18)19-10-14-8-11-3-1-2-4-16(11)20-14/h1-7,9,14H,8,10H2
InChIKeyXCGMBLRUEUHSFQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.73
Rot. Bonds4

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde

2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde (PubChem CID 107697470) has the molecular formula C16H13FO2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde
PubChem CID107697470
Molecular FormulaC16H13FO2S
Molecular Weight288.34 g/mol
Exact Mass288.06
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1OCC1Cc2ccccc2S1
InChIInChI=1S/C16H13FO2S/c17-13-5-6-15(12(7-13)9-18)19-10-14-8-11-3-1-2-4-16(11)20-14/h1-7,9,14H,8,10H2
InChIKeyXCGMBLRUEUHSFQ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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-2-ylmethoxy)-5-fluorobenzaldehyde?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde (CID 107697470) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1OCC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde?
The InChIKey is XCGMBLRUEUHSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2S/c17-13-5-6-15(12(7-13)9-18)19-10-14-8-11-3-1-2-4-16(11)20-14/h1-7,9,14H,8,10H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde?
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-fluorobenzaldehyde has a molecular weight of 288.34 g/mol, XLogP of 3.73, 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-2-ylmethoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 107697470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).