2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde

C24H25O2P — CID 88987570

IUPAC2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
SMILESCCC(C)(Pc1ccccc1C=O)c1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C24H25O2P/c1-3-24(2,27-22-15-8-7-12-20(22)17-25)21-14-9-13-19(23(21)26)16-18-10-5-4-6-11-18/h4-15,17,26-27H,3,16H2,1-2H3
InChIKeyGPYMQFBBABJDBW-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.42
Rot. Bonds7

About 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde

2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde (PubChem CID 88987570) has the molecular formula C24H25O2P and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
PubChem CID88987570
Molecular FormulaC24H25O2P
Molecular Weight376.44 g/mol
Exact Mass376.16
IUPAC Name2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
SMILESCCC(C)(Pc1ccccc1C=O)c1cccc(Cc2ccccc2)c1O
InChIInChI=1S/C24H25O2P/c1-3-24(2,27-22-15-8-7-12-20(22)17-25)21-14-9-13-19(23(21)26)16-18-10-5-4-6-11-18/h4-15,17,26-27H,3,16H2,1-2H3
InChIKeyGPYMQFBBABJDBW-UHFFFAOYSA-N
XLogP5.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The IUPAC name of 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde (CID 88987570) is 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde.
What is the SMILES notation for 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The canonical SMILES for 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde is CCC(C)(Pc1ccccc1C=O)c1cccc(Cc2ccccc2)c1O.
What is the InChIKey of 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The InChIKey is GPYMQFBBABJDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2P/c1-3-24(2,27-22-15-8-7-12-20(22)17-25)21-14-9-13-19(23(21)26)16-18-10-5-4-6-11-18/h4-15,17,26-27H,3,16H2,1-2H3.
What are the key properties of 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde has a molecular weight of 376.44 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde is sourced from PubChem (CID 88987570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).