diphenoxyphosphoryl-(4-methylphenyl)methanol

C20H19O4P — CID 3300162

IUPACdiphenoxyphosphoryl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H19O4P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15,20-21H,1H3
InChIKeyYFBJXUQHEMIQGE-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.34
Rot. Bonds6

About diphenoxyphosphoryl-(4-methylphenyl)methanol

diphenoxyphosphoryl-(4-methylphenyl)methanol (PubChem CID 3300162) has the molecular formula C20H19O4P and a molecular weight of 354.34 g/mol. Its IUPAC name is diphenoxyphosphoryl-(4-methylphenyl)methanol.

Molecular Properties

Compound Namediphenoxyphosphoryl-(4-methylphenyl)methanol
PubChem CID3300162
Molecular FormulaC20H19O4P
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Namediphenoxyphosphoryl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C20H19O4P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15,20-21H,1H3
InChIKeyYFBJXUQHEMIQGE-UHFFFAOYSA-N
XLogP5.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphoryl-(4-methylphenyl)methanol?
The IUPAC name of diphenoxyphosphoryl-(4-methylphenyl)methanol (CID 3300162) is diphenoxyphosphoryl-(4-methylphenyl)methanol.
What is the SMILES notation for diphenoxyphosphoryl-(4-methylphenyl)methanol?
The canonical SMILES for diphenoxyphosphoryl-(4-methylphenyl)methanol is Cc1ccc(C(O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of diphenoxyphosphoryl-(4-methylphenyl)methanol?
The InChIKey is YFBJXUQHEMIQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O4P/c1-16-12-14-17(15-13-16)20(21)25(22,23-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-15,20-21H,1H3.
What are the key properties of diphenoxyphosphoryl-(4-methylphenyl)methanol?
diphenoxyphosphoryl-(4-methylphenyl)methanol has a molecular weight of 354.34 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphoryl-(4-methylphenyl)methanol is sourced from PubChem (CID 3300162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).