1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene

C22H23O3P — CID 101025197

IUPAC1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
SMILESCc1ccc(COP(=O)(OCc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-18-8-12-20(13-9-18)16-24-26(23,22-6-4-3-5-7-22)25-17-21-14-10-19(2)11-15-21/h3-15H,16-17H2,1-2H3
InChIKeyOLBRWQKGHIGAHC-UHFFFAOYSA-N
MW366.40 g/mol
LogP5.56
Rot. Bonds7

About 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene

1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene (PubChem CID 101025197) has the molecular formula C22H23O3P and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
PubChem CID101025197
Molecular FormulaC22H23O3P
Molecular Weight366.40 g/mol
Exact Mass366.14
IUPAC Name1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
SMILESCc1ccc(COP(=O)(OCc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23O3P/c1-18-8-12-20(13-9-18)16-24-26(23,22-6-4-3-5-7-22)25-17-21-14-10-19(2)11-15-21/h3-15H,16-17H2,1-2H3
InChIKeyOLBRWQKGHIGAHC-UHFFFAOYSA-N
XLogP5.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene?
The IUPAC name of 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene (CID 101025197) is 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene.
What is the SMILES notation for 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene?
The canonical SMILES for 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene is Cc1ccc(COP(=O)(OCc2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene?
The InChIKey is OLBRWQKGHIGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O3P/c1-18-8-12-20(13-9-18)16-24-26(23,22-6-4-3-5-7-22)25-17-21-14-10-19(2)11-15-21/h3-15H,16-17H2,1-2H3.
What are the key properties of 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene?
1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene has a molecular weight of 366.40 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene is sourced from PubChem (CID 101025197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).