5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde

C15H9FO2S — CID 59599752

IUPAC5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2csc3ccccc23)cc(F)c1O
InChIInChI=1S/C15H9FO2S/c16-13-6-9(5-10(7-17)15(13)18)12-8-19-14-4-2-1-3-11(12)14/h1-8,18H
InChIKeyAZKUQPBVKUNNPI-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.23
Rot. Bonds2

About 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde

5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde (PubChem CID 59599752) has the molecular formula C15H9FO2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde
PubChem CID59599752
Molecular FormulaC15H9FO2S
Molecular Weight272.30 g/mol
Exact Mass272.03
IUPAC Name5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2csc3ccccc23)cc(F)c1O
InChIInChI=1S/C15H9FO2S/c16-13-6-9(5-10(7-17)15(13)18)12-8-19-14-4-2-1-3-11(12)14/h1-8,18H
InChIKeyAZKUQPBVKUNNPI-UHFFFAOYSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
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 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde (CID 59599752) is 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde is O=Cc1cc(-c2csc3ccccc23)cc(F)c1O.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is AZKUQPBVKUNNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO2S/c16-13-6-9(5-10(7-17)15(13)18)12-8-19-14-4-2-1-3-11(12)14/h1-8,18H.
What are the key properties of 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde?
5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde has a molecular weight of 272.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 59599752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).