3-phenylthiophene-2-carbaldehyde

C11H8OS — CID 818847

IUPAC3-phenylthiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccccc1
InChIInChI=1S/C11H8OS/c12-8-11-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H
InChIKeyBUHSFOAXGMMUSC-UHFFFAOYSA-N
MW188.25 g/mol
LogP3.23
Rot. Bonds2

About 3-phenylthiophene-2-carbaldehyde

3-phenylthiophene-2-carbaldehyde (PubChem CID 818847) has the molecular formula C11H8OS and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-phenylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-phenylthiophene-2-carbaldehyde
PubChem CID818847
Molecular FormulaC11H8OS
Molecular Weight188.25 g/mol
Exact Mass188.03
IUPAC Name3-phenylthiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccccc1
InChIInChI=1S/C11H8OS/c12-8-11-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H
InChIKeyBUHSFOAXGMMUSC-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.23
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

3-Acetylbenzothiophene
CID 14316
1-Benzothiophene-2-carbaldehyde
CID 736500
Benzo(b)thiophene-5-carboxaldehyde
CID 139097
1-Benzothiophene-3-carbaldehyde
CID 227328
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
(2E)-2-[(Thiophen-2-YL)methylidene]-2,3-dihydro-1H-inden-1-one
CID 2305465
2-Benzoylthiophene
CID 67262
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
CID 19891
5-Phenylthiophene-2-carbaldehyde
CID 177053
(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
5-(Phenylethynyl)thiophene-2-carbaldehyde
CID 2737140

Frequently Asked Questions

What is the IUPAC name of 3-phenylthiophene-2-carbaldehyde?
The IUPAC name of 3-phenylthiophene-2-carbaldehyde (CID 818847) is 3-phenylthiophene-2-carbaldehyde.
What is the SMILES notation for 3-phenylthiophene-2-carbaldehyde?
The canonical SMILES for 3-phenylthiophene-2-carbaldehyde is O=Cc1sccc1-c1ccccc1.
What is the InChIKey of 3-phenylthiophene-2-carbaldehyde?
The InChIKey is BUHSFOAXGMMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS/c12-8-11-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 3-phenylthiophene-2-carbaldehyde?
3-phenylthiophene-2-carbaldehyde has a molecular weight of 188.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylthiophene-2-carbaldehyde is sourced from PubChem (CID 818847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).