3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde

C19H16OS — CID 19390188

IUPAC3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde
SMILESO=Cc1cccc(CCc2cccc(-c3ccsc3)c2)c1
InChIInChI=1S/C19H16OS/c20-13-17-5-1-3-15(11-17)7-8-16-4-2-6-18(12-16)19-9-10-21-14-19/h1-6,9-14H,7-8H2
InChIKeyNCGUPGAHMULZOY-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.01
Rot. Bonds5

About 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde

3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde (PubChem CID 19390188) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde
PubChem CID19390188
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde
SMILESO=Cc1cccc(CCc2cccc(-c3ccsc3)c2)c1
InChIInChI=1S/C19H16OS/c20-13-17-5-1-3-15(11-17)7-8-16-4-2-6-18(12-16)19-9-10-21-14-19/h1-6,9-14H,7-8H2
InChIKeyNCGUPGAHMULZOY-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.01
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-[(3-thiophen-3-ylphenyl)methylsulfanyl]benzaldehyde
CID 19744505
[3-[2-(3-thiophen-3-ylphenyl)ethenyl]phenyl]methanol
CID 54042628
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
cyclopenta[c]thiopyran
CID 584139
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288
3-(2-oxoethyl)benzaldehyde
CID 54321672
3-(thiophen-2-ylmethyl)benzaldehyde
CID 154360412
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
3-prop-2-ynylbenzaldehyde
CID 55262963
3-(3-oxobutyl)benzaldehyde
CID 11137650

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde?
The IUPAC name of 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde (CID 19390188) is 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde.
What is the SMILES notation for 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde?
The canonical SMILES for 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde is O=Cc1cccc(CCc2cccc(-c3ccsc3)c2)c1.
What is the InChIKey of 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde?
The InChIKey is NCGUPGAHMULZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c20-13-17-5-1-3-15(11-17)7-8-16-4-2-6-18(12-16)19-9-10-21-14-19/h1-6,9-14H,7-8H2.
What are the key properties of 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde?
3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde has a molecular weight of 292.40 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde is sourced from PubChem (CID 19390188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).