2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde

C25H27O3P — CID 88969071

IUPAC2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
SMILESCCC(C)(Pc1ccccc1C=O)c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H27O3P/c1-4-25(2,29-23-16-9-8-13-20(23)17-26)21-14-10-15-22(27-3)24(21)28-18-19-11-6-5-7-12-19/h5-17,29H,4,18H2,1-3H3
InChIKeyRSCDTYHYRTVJSE-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.72
Rot. Bonds9

About 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde

2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde (PubChem CID 88969071) has the molecular formula C25H27O3P and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
PubChem CID88969071
Molecular FormulaC25H27O3P
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
SMILESCCC(C)(Pc1ccccc1C=O)c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H27O3P/c1-4-25(2,29-23-16-9-8-13-20(23)17-26)21-14-10-15-22(27-3)24(21)28-18-19-11-6-5-7-12-19/h5-17,29H,4,18H2,1-3H3
InChIKeyRSCDTYHYRTVJSE-UHFFFAOYSA-N
XLogP5.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.72
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

potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-[2-(3-benzyl-2-hydroxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88987570
2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde
CID 88969314
2-(3-benzyl-2-phenylmethoxyphenyl)butan-2-yl-(2-fluorophenyl)phosphane
CID 71040119
2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
CID 71039658
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane
CID 71039784
2-[1-(3-methoxy-2-phenylmethoxyphenyl)propylphosphanyl]-3-methylbenzaldehyde
CID 88987550
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
2-[3-(3,5-dibenzyl-2-phenylmethoxyphenyl)octan-3-ylphosphanyl]benzaldehyde
CID 89356457
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
1-[2-[2-[3-benzyl-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 89214594

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The IUPAC name of 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde (CID 88969071) is 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde.
What is the SMILES notation for 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The canonical SMILES for 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde is CCC(C)(Pc1ccccc1C=O)c1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
The InChIKey is RSCDTYHYRTVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27O3P/c1-4-25(2,29-23-16-9-8-13-20(23)17-26)21-14-10-15-22(27-3)24(21)28-18-19-11-6-5-7-12-19/h5-17,29H,4,18H2,1-3H3.
What are the key properties of 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde?
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde has a molecular weight of 406.46 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde is sourced from PubChem (CID 88969071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).