2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde

C22H16O2 — CID 88602472

IUPAC2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc(C=Cc2ccccc2)ccc1C=O
InChIInChI=1S/C22H16O2/c23-15-19-8-4-5-9-21(19)22-14-18(12-13-20(22)16-24)11-10-17-6-2-1-3-7-17/h1-16H
InChIKeyIWULJCFHDCUPEW-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.15
Rot. Bonds5

About 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde

2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde (PubChem CID 88602472) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde
PubChem CID88602472
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1cc(C=Cc2ccccc2)ccc1C=O
InChIInChI=1S/C22H16O2/c23-15-19-8-4-5-9-21(19)22-14-18(12-13-20(22)16-24)11-10-17-6-2-1-3-7-17/h1-16H
InChIKeyIWULJCFHDCUPEW-UHFFFAOYSA-N
XLogP5.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.15
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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Related Compounds

2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-(2-phenylphenyl)benzaldehyde
CID 11322869
1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
CID 11167038
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
3-(3-formylazulen-1-yl)azulene-1-carbaldehyde
CID 10591039
2-(3-formylphenyl)benzaldehyde
CID 57186210
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
3-[5-hydroxy-2-(2-phenylethenyl)phenyl]-4-(2-phenylethenyl)phenol
CID 68866256
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
4-(4-phenylbuta-1,3-dienyl)benzaldehyde
CID 71360938

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde?
The IUPAC name of 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde (CID 88602472) is 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde.
What is the SMILES notation for 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde?
The canonical SMILES for 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde is O=Cc1ccccc1-c1cc(C=Cc2ccccc2)ccc1C=O.
What is the InChIKey of 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde?
The InChIKey is IWULJCFHDCUPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c23-15-19-8-4-5-9-21(19)22-14-18(12-13-20(22)16-24)11-10-17-6-2-1-3-7-17/h1-16H.
What are the key properties of 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde?
2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde has a molecular weight of 312.37 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde is sourced from PubChem (CID 88602472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).