[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane

C23H34O2P2 — CID 88969386

IUPAC[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
SMILESCCC(CC)(Pc1c(C)cccc1P(C)C)c1cccc(C)c1OCOC
InChIInChI=1S/C23H34O2P2/c1-8-23(9-2,19-14-10-12-17(3)21(19)25-16-24-5)26-22-18(4)13-11-15-20(22)27(6)7/h10-15,26H,8-9,16H2,1-7H3
InChIKeyRFVXHYNRNKPSRR-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.67
Rot. Bonds9

About [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane

[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane (PubChem CID 88969386) has the molecular formula C23H34O2P2 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane.

Molecular Properties

Compound Name[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
PubChem CID88969386
Molecular FormulaC23H34O2P2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
SMILESCCC(CC)(Pc1c(C)cccc1P(C)C)c1cccc(C)c1OCOC
InChIInChI=1S/C23H34O2P2/c1-8-23(9-2,19-14-10-12-17(3)21(19)25-16-24-5)26-22-18(4)13-11-15-20(22)27(6)7/h10-15,26H,8-9,16H2,1-7H3
InChIKeyRFVXHYNRNKPSRR-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane 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-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]-dimethylphosphane
CID 88969379
[2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356670
N-[[2-[3-[3-benzyl-2-(methoxymethoxy)phenyl]pentan-3-ylphosphanyl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 89214378
1-[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-5-methylphenyl]-N-methylmethanamine
CID 89214187
N-[[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-3-methylphenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 89356601
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methyl-N,N-di(propan-2-yl)aniline
CID 89356666
[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[2-(methoxymethoxy)-3,5-dimethylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane;[2-[2-(methoxymethoxy)-5-methylphenyl]phosphanyl-3-methylphenyl]-dimethylphosphane
CID 158995702
2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-3-methylbenzaldehyde
CID 88969314
1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356303
2-[2-[3-methoxy-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-N,N,3-trimethylaniline
CID 89356665
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
CID 89214388
[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356515

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
The IUPAC name of [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane (CID 88969386) is [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane.
What is the SMILES notation for [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
The canonical SMILES for [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane is CCC(CC)(Pc1c(C)cccc1P(C)C)c1cccc(C)c1OCOC.
What is the InChIKey of [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
The InChIKey is RFVXHYNRNKPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2P2/c1-8-23(9-2,19-14-10-12-17(3)21(19)25-16-24-5)26-22-18(4)13-11-15-20(22)27(6)7/h10-15,26H,8-9,16H2,1-7H3.
What are the key properties of [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane?
[2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane has a molecular weight of 404.47 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(methoxymethoxy)-3-methylphenyl]pentan-3-ylphosphanyl]-3-methylphenyl]-dimethylphosphane is sourced from PubChem (CID 88969386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).