3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde

C22H17O3P — CID 146390057

IUPAC3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde
SMILESCC(=O)c1cccc(P(c2cccc(C=O)c2)c2cccc(C=O)c2)c1
InChIInChI=1S/C22H17O3P/c1-16(25)19-7-4-10-22(13-19)26(20-8-2-5-17(11-20)14-23)21-9-3-6-18(12-21)15-24/h2-15H,1H3
InChIKeyOSFHSDJXZDBTAU-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.27
Rot. Bonds6

About 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde

3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde (PubChem CID 146390057) has the molecular formula C22H17O3P and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde.

Molecular Properties

Compound Name3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde
PubChem CID146390057
Molecular FormulaC22H17O3P
Molecular Weight360.35 g/mol
Exact Mass360.09
IUPAC Name3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde
SMILESCC(=O)c1cccc(P(c2cccc(C=O)c2)c2cccc(C=O)c2)c1
InChIInChI=1S/C22H17O3P/c1-16(25)19-7-4-10-22(13-19)26(20-8-2-5-17(11-20)14-23)21-9-3-6-18(12-21)15-24/h2-15H,1H3
InChIKeyOSFHSDJXZDBTAU-UHFFFAOYSA-N
XLogP3.27
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formylbenzoic acid;methanol
CID 142242456
3-formylbenzoyl iodide
CID 88830571
1-[3-(hydroxyiminomethyl)phenyl]ethanone
CID 139968005
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
1-(3-methanimidoylphenyl)ethanone
CID 89337497
3-[1-(3-formylphenyl)ethenyl]benzaldehyde
CID 86226785
1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 121493701
3-acetylbenzaldehyde;1-[3-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)phenyl]ethanone
CID 158285953
7-acetyl-9-oxofluorene-2-carbaldehyde
CID 145345524
3-[2-(dimethylamino)acetyl]benzaldehyde
CID 55272304
tert-butyl 3-(3-formylphenyl)benzoate
CID 155970467
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde?
The IUPAC name of 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde (CID 146390057) is 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde.
What is the SMILES notation for 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde?
The canonical SMILES for 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde is CC(=O)c1cccc(P(c2cccc(C=O)c2)c2cccc(C=O)c2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde?
The InChIKey is OSFHSDJXZDBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17O3P/c1-16(25)19-7-4-10-22(13-19)26(20-8-2-5-17(11-20)14-23)21-9-3-6-18(12-21)15-24/h2-15H,1H3.
What are the key properties of 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde?
3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde has a molecular weight of 360.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde is sourced from PubChem (CID 146390057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).