1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene

C21H21O3P — CID 59289670

IUPAC1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene
SMILESCOc1ccc(Cc2ccc(OP(C)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H21O3P/c1-23-19-12-8-17(9-13-19)16-18-10-14-20(15-11-18)24-25(2,22)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3
InChIKeyJTKNBNKRHIZIJF-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.90
Rot. Bonds6

About 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene

1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene (PubChem CID 59289670) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene
PubChem CID59289670
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene
SMILESCOc1ccc(Cc2ccc(OP(C)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H21O3P/c1-23-19-12-8-17(9-13-19)16-18-10-14-20(15-11-18)24-25(2,22)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3
InChIKeyJTKNBNKRHIZIJF-UHFFFAOYSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene 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

1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
CID 10882664
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390
1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane
CID 160886061
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
benzyl-[(4-methoxyphenyl)methyl]-methylidene-λ4-sulfane
CID 100953226
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
anisole;[methoxy(methyl)phosphoryl]oxymethane
CID 175280701
1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene (CID 59289670) is 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene is COc1ccc(Cc2ccc(OP(C)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene?
The InChIKey is JTKNBNKRHIZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P/c1-23-19-12-8-17(9-13-19)16-18-10-14-20(15-11-18)24-25(2,22)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3.
What are the key properties of 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene?
1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene has a molecular weight of 352.37 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene is sourced from PubChem (CID 59289670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).