2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde

C21H27O4P — CID 88987793

IUPAC2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde
SMILESCCCC(C)(Pc1ccccc1C=O)c1cc(OC)ccc1OCOC
InChIInChI=1S/C21H27O4P/c1-5-12-21(2,26-20-9-7-6-8-16(20)14-22)18-13-17(24-4)10-11-19(18)25-15-23-3/h6-11,13-14,26H,5,12,15H2,1-4H3
InChIKeyYXLXXKJRJXRVIU-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.51
Rot. Bonds10

About 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde

2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde (PubChem CID 88987793) has the molecular formula C21H27O4P and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde
PubChem CID88987793
Molecular FormulaC21H27O4P
Molecular Weight374.42 g/mol
Exact Mass374.16
IUPAC Name2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde
SMILESCCCC(C)(Pc1ccccc1C=O)c1cc(OC)ccc1OCOC
InChIInChI=1S/C21H27O4P/c1-5-12-21(2,26-20-9-7-6-8-16(20)14-22)18-13-17(24-4)10-11-19(18)25-15-23-3/h6-11,13-14,26H,5,12,15H2,1-4H3
InChIKeyYXLXXKJRJXRVIU-UHFFFAOYSA-N
XLogP4.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-hydroxy-5-methoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969127
2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]pentan-2-yl-(2-methylphenyl)phosphane
CID 88987874
2-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]octan-3-ylphosphanyl]benzaldehyde
CID 89356589
1-[2-[2-[5-benzyl-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-5-methylphenyl]ethanone
CID 89214655
1-[2-[3-(5-methoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]-N-methylmethanimine
CID 71191593
2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde
CID 22131273
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
1-[2-[2-(5-methoxy-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 71191834
(E)-1-[2-[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]pentan-2-ylphosphanyl]phenyl]-N-piperidin-1-ylmethanimine
CID 89356571
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711
[5-methoxy-2-(methoxymethoxy)phenyl]-diphenylmethanol
CID 142656877
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde?
The IUPAC name of 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde (CID 88987793) is 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde.
What is the SMILES notation for 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde?
The canonical SMILES for 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde is CCCC(C)(Pc1ccccc1C=O)c1cc(OC)ccc1OCOC.
What is the InChIKey of 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde?
The InChIKey is YXLXXKJRJXRVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O4P/c1-5-12-21(2,26-20-9-7-6-8-16(20)14-22)18-13-17(24-4)10-11-19(18)25-15-23-3/h6-11,13-14,26H,5,12,15H2,1-4H3.
What are the key properties of 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde?
2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde has a molecular weight of 374.42 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]benzaldehyde is sourced from PubChem (CID 88987793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).