2-[4-(2-phenylethenyl)phenoxy]benzaldehyde

C21H16O2 — CID 57248486

IUPAC2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
SMILESO=Cc1ccccc1Oc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H16O2/c22-16-19-8-4-5-9-21(19)23-20-14-12-18(13-15-20)11-10-17-6-2-1-3-7-17/h1-16H
InChIKeyFATJVRASUBZOQF-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.46
Rot. Bonds5

About 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde

2-[4-(2-phenylethenyl)phenoxy]benzaldehyde (PubChem CID 57248486) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde.

Molecular Properties

Compound Name2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
PubChem CID57248486
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
SMILESO=Cc1ccccc1Oc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H16O2/c22-16-19-8-4-5-9-21(19)23-20-14-12-18(13-15-20)11-10-17-6-2-1-3-7-17/h1-16H
InChIKeyFATJVRASUBZOQF-UHFFFAOYSA-N
XLogP5.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde?
The IUPAC name of 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde (CID 57248486) is 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde.
What is the SMILES notation for 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde?
The canonical SMILES for 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde is O=Cc1ccccc1Oc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde?
The InChIKey is FATJVRASUBZOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-16-19-8-4-5-9-21(19)23-20-14-12-18(13-15-20)11-10-17-6-2-1-3-7-17/h1-16H.
What are the key properties of 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde?
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde has a molecular weight of 300.36 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethenyl)phenoxy]benzaldehyde is sourced from PubChem (CID 57248486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).