2-phenyl-1-benzothiophene-3-carbaldehyde

C15H10OS — CID 11563191

IUPAC2-phenyl-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H10OS/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-10H
InChIKeyXKMBVEDDGVSRIW-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.38
Rot. Bonds2

About 2-phenyl-1-benzothiophene-3-carbaldehyde

2-phenyl-1-benzothiophene-3-carbaldehyde (PubChem CID 11563191) has the molecular formula C15H10OS and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-phenyl-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-1-benzothiophene-3-carbaldehyde
PubChem CID11563191
Molecular FormulaC15H10OS
Molecular Weight238.31 g/mol
Exact Mass238.05
IUPAC Name2-phenyl-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H10OS/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-10H
InChIKeyXKMBVEDDGVSRIW-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 2-phenyl-1-benzothiophene-3-carbaldehyde (CID 11563191) is 2-phenyl-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 2-phenyl-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 2-phenyl-1-benzothiophene-3-carbaldehyde is O=Cc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 2-phenyl-1-benzothiophene-3-carbaldehyde?
The InChIKey is XKMBVEDDGVSRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10OS/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-phenyl-1-benzothiophene-3-carbaldehyde?
2-phenyl-1-benzothiophene-3-carbaldehyde 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 2-phenyl-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 11563191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).