4-(1-benzothiophen-3-yl)benzaldehyde

C15H10OS — CID 3358917

IUPAC4-(1-benzothiophen-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2csc3ccccc23)cc1
InChIInChI=1S/C15H10OS/c16-9-11-5-7-12(8-6-11)14-10-17-15-4-2-1-3-13(14)15/h1-10H
InChIKeyLOVKZCUQBPHIJX-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.38
Rot. Bonds2

About 4-(1-benzothiophen-3-yl)benzaldehyde

4-(1-benzothiophen-3-yl)benzaldehyde (PubChem CID 3358917) has the molecular formula C15H10OS and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)benzaldehyde
PubChem CID3358917
Molecular FormulaC15H10OS
Molecular Weight238.31 g/mol
Exact Mass238.05
IUPAC Name4-(1-benzothiophen-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2csc3ccccc23)cc1
InChIInChI=1S/C15H10OS/c16-9-11-5-7-12(8-6-11)14-10-17-15-4-2-1-3-13(14)15/h1-10H
InChIKeyLOVKZCUQBPHIJX-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde
CID 59599865
N,N,4-tris[4-(1-benzothiophen-3-yl)phenyl]aniline
CID 164744658
1-N,4-N-bis[4-(1-benzothiophen-3-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59720651
4-(1-benzothiophen-3-yloxy)benzaldehyde
CID 11265291
4-N-[4-(1-benzothiophen-3-yl)phenyl]-4-N-[4-[4-[4-(1-benzothiophen-3-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59720656
N-[4-(1-benzothiophen-3-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59720641
4-(1-benzothiophen-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867326
N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide
CID 54515883
4-[2-(hydroxymethyl)phenyl]benzaldehyde
CID 1393999
4-triphenylen-2-ylbenzaldehyde
CID 58078284
N-[4-(1-benzothiophen-3-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline;4-[4-(1-benzothiophen-3-yl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline;N-[4-(1-benzothiophen-3-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(1-benzothiophen-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(1-benzothiophen-3-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline;N,N-bis[4-(1-benzothiophen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164969729
2-(1-benzothiophen-3-yl)-1-methylpyrrole
CID 134861873

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)benzaldehyde?
The IUPAC name of 4-(1-benzothiophen-3-yl)benzaldehyde (CID 3358917) is 4-(1-benzothiophen-3-yl)benzaldehyde.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)benzaldehyde?
The canonical SMILES for 4-(1-benzothiophen-3-yl)benzaldehyde is O=Cc1ccc(-c2csc3ccccc23)cc1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)benzaldehyde?
The InChIKey is LOVKZCUQBPHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10OS/c16-9-11-5-7-12(8-6-11)14-10-17-15-4-2-1-3-13(14)15/h1-10H.
What are the key properties of 4-(1-benzothiophen-3-yl)benzaldehyde?
4-(1-benzothiophen-3-yl)benzaldehyde has a molecular weight of 238.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)benzaldehyde is sourced from PubChem (CID 3358917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).