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

C15H10O2S — CID 11265291

IUPAC4-(1-benzothiophen-3-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C15H10O2S/c16-9-11-5-7-12(8-6-11)17-14-10-18-15-4-2-1-3-13(14)15/h1-10H
InChIKeyMGRRFFNZBGUMST-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.51
Rot. Bonds3

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

4-(1-benzothiophen-3-yloxy)benzaldehyde (PubChem CID 11265291) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yloxy)benzaldehyde
PubChem CID11265291
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name4-(1-benzothiophen-3-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C15H10O2S/c16-9-11-5-7-12(8-6-11)17-14-10-18-15-4-2-1-3-13(14)15/h1-10H
InChIKeyMGRRFFNZBGUMST-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.51
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 4-(1-benzothiophen-3-yloxy)benzaldehyde?
The IUPAC name of 4-(1-benzothiophen-3-yloxy)benzaldehyde (CID 11265291) is 4-(1-benzothiophen-3-yloxy)benzaldehyde.
What is the SMILES notation for 4-(1-benzothiophen-3-yloxy)benzaldehyde?
The canonical SMILES for 4-(1-benzothiophen-3-yloxy)benzaldehyde is O=Cc1ccc(Oc2csc3ccccc23)cc1.
What is the InChIKey of 4-(1-benzothiophen-3-yloxy)benzaldehyde?
The InChIKey is MGRRFFNZBGUMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c16-9-11-5-7-12(8-6-11)17-14-10-18-15-4-2-1-3-13(14)15/h1-10H.
What are the key properties of 4-(1-benzothiophen-3-yloxy)benzaldehyde?
4-(1-benzothiophen-3-yloxy)benzaldehyde has a molecular weight of 254.31 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yloxy)benzaldehyde is sourced from PubChem (CID 11265291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).