4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde

C16H11FO2S — CID 107689565

IUPAC4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCc2csc3ccccc23)c(F)c1
InChIInChI=1S/C16H11FO2S/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-8,10H,9H2
InChIKeyJKFMHBQDMMOUGI-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.43
Rot. Bonds4

About 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde

4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde (PubChem CID 107689565) has the molecular formula C16H11FO2S and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
PubChem CID107689565
Molecular FormulaC16H11FO2S
Molecular Weight286.33 g/mol
Exact Mass286.05
IUPAC Name4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCc2csc3ccccc23)c(F)c1
InChIInChI=1S/C16H11FO2S/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-8,10H,9H2
InChIKeyJKFMHBQDMMOUGI-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.43
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

4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde
CID 63743151
4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzonitrile
CID 107670446
4-(1-benzothiophen-3-ylmethoxy)-3,5-dibromobenzaldehyde
CID 107738165
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
CID 63743324
3-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-1-benzothiophene
CID 63739324
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
3-[(2-bromo-4-methylphenoxy)methyl]-1-benzothiophene
CID 63742992
3-[(2-fluorophenoxy)methyl]-1-benzothiophen-5-amine
CID 117174712
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde (CID 107689565) is 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde is O=Cc1ccc(OCc2csc3ccccc23)c(F)c1.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
The InChIKey is JKFMHBQDMMOUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2S/c17-14-7-11(8-18)5-6-15(14)19-9-12-10-20-16-4-2-1-3-13(12)16/h1-8,10H,9H2.
What are the key properties of 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde?
4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde has a molecular weight of 286.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 107689565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).