2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde

C22H21O2P — CID 163676182

IUPAC2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde
SMILESCC(Pc1ccccc1C=O)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C22H21O2P/c1-16(25-22-10-6-5-9-19(22)15-23)20-14-18(11-12-21(20)24)13-17-7-3-2-4-8-17/h2-12,14-16,24-25H,13H2,1H3
InChIKeyJGXHWHCSWOCYHI-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.86
Rot. Bonds6

About 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde

2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde (PubChem CID 163676182) has the molecular formula C22H21O2P and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde.

Molecular Properties

Compound Name2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde
PubChem CID163676182
Molecular FormulaC22H21O2P
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde
SMILESCC(Pc1ccccc1C=O)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C22H21O2P/c1-16(25-22-10-6-5-9-19(22)15-23)20-14-18(11-12-21(20)24)13-17-7-3-2-4-8-17/h2-12,14-16,24-25H,13H2,1H3
InChIKeyJGXHWHCSWOCYHI-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.86
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-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde?
The IUPAC name of 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde (CID 163676182) is 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde.
What is the SMILES notation for 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde?
The canonical SMILES for 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde is CC(Pc1ccccc1C=O)c1cc(Cc2ccccc2)ccc1O.
What is the InChIKey of 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde?
The InChIKey is JGXHWHCSWOCYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P/c1-16(25-22-10-6-5-9-19(22)15-23)20-14-18(11-12-21(20)24)13-17-7-3-2-4-8-17/h2-12,14-16,24-25H,13H2,1H3.
What are the key properties of 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde?
2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde has a molecular weight of 348.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-benzyl-2-hydroxyphenyl)ethylphosphanyl]benzaldehyde is sourced from PubChem (CID 163676182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).