3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde

C21H17O2P — CID 146161801

IUPAC3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H17O2P/c22-17-19-9-7-8-18(16-19)14-15-24(23,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H/b15-14+
InChIKeyGCBHMRZNXWJIRP-CCEZHUSRSA-N
MW332.34 g/mol
LogP4.48
Rot. Bonds5

About 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde

3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde (PubChem CID 146161801) has the molecular formula C21H17O2P and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde
PubChem CID146161801
Molecular FormulaC21H17O2P
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H17O2P/c22-17-19-9-7-8-18(16-19)14-15-24(23,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H/b15-14+
InChIKeyGCBHMRZNXWJIRP-CCEZHUSRSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene
CID 162401523
2-(2-diphenylphosphorylethenyl)thiophene
CID 73098727
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
diphenylphosphorylformaldehyde;styrene
CID 160785647
3-[(E)-2-(1-benzothiophen-2-yl)ethenyl]benzaldehyde
CID 122476548
benzaldehyde;hydrate
CID 86741597
3-(2-nitroethenyl)benzaldehyde
CID 173163142

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde?
The IUPAC name of 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde (CID 146161801) is 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde.
What is the SMILES notation for 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde?
The canonical SMILES for 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde is O=Cc1cccc(/C=C/P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde?
The InChIKey is GCBHMRZNXWJIRP-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H17O2P/c22-17-19-9-7-8-18(16-19)14-15-24(23,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H/b15-14+.
What are the key properties of 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde?
3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde has a molecular weight of 332.34 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde is sourced from PubChem (CID 146161801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).