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

C15H10O2S — CID 59599865

IUPAC5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2csc3ccccc23)ccc1O
InChIInChI=1S/C15H10O2S/c16-8-11-7-10(5-6-14(11)17)13-9-18-15-4-2-1-3-12(13)15/h1-9,17H
InChIKeyWFTNQIMZLPIMSK-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.09
Rot. Bonds2

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

5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde (PubChem CID 59599865) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde
PubChem CID59599865
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2csc3ccccc23)ccc1O
InChIInChI=1S/C15H10O2S/c16-8-11-7-10(5-6-14(11)17)13-9-18-15-4-2-1-3-12(13)15/h1-9,17H
InChIKeyWFTNQIMZLPIMSK-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.09
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)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde (CID 59599865) is 5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde is O=Cc1cc(-c2csc3ccccc23)ccc1O.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde?
The InChIKey is WFTNQIMZLPIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c16-8-11-7-10(5-6-14(11)17)13-9-18-15-4-2-1-3-12(13)15/h1-9,17H.
What are the key properties of 5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde?
5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde has a molecular weight of 254.31 g/mol, XLogP of 4.09, 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)-2-hydroxybenzaldehyde is sourced from PubChem (CID 59599865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).