phenyl bis(4-methylphenoxy)phosphorylformate

C21H19O5P — CID 512105

IUPACphenyl bis(4-methylphenoxy)phosphorylformate
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C21H19O5P/c1-16-8-12-19(13-9-16)25-27(23,26-20-14-10-17(2)11-15-20)21(22)24-18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyIORAAQDUDVGXSM-UHFFFAOYSA-N
MW382.35 g/mol
LogP6.15
Rot. Bonds6

About phenyl bis(4-methylphenoxy)phosphorylformate

phenyl bis(4-methylphenoxy)phosphorylformate (PubChem CID 512105) has the molecular formula C21H19O5P and a molecular weight of 382.35 g/mol. Its IUPAC name is phenyl bis(4-methylphenoxy)phosphorylformate.

Molecular Properties

Compound Namephenyl bis(4-methylphenoxy)phosphorylformate
PubChem CID512105
Molecular FormulaC21H19O5P
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Namephenyl bis(4-methylphenoxy)phosphorylformate
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C21H19O5P/c1-16-8-12-19(13-9-16)25-27(23,26-20-14-10-17(2)11-15-20)21(22)24-18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyIORAAQDUDVGXSM-UHFFFAOYSA-N
XLogP6.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.35
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl bis(4-methylphenoxy)phosphorylformate?
The IUPAC name of phenyl bis(4-methylphenoxy)phosphorylformate (CID 512105) is phenyl bis(4-methylphenoxy)phosphorylformate.
What is the SMILES notation for phenyl bis(4-methylphenoxy)phosphorylformate?
The canonical SMILES for phenyl bis(4-methylphenoxy)phosphorylformate is Cc1ccc(OP(=O)(Oc2ccc(C)cc2)C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl bis(4-methylphenoxy)phosphorylformate?
The InChIKey is IORAAQDUDVGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O5P/c1-16-8-12-19(13-9-16)25-27(23,26-20-14-10-17(2)11-15-20)21(22)24-18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of phenyl bis(4-methylphenoxy)phosphorylformate?
phenyl bis(4-methylphenoxy)phosphorylformate has a molecular weight of 382.35 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl bis(4-methylphenoxy)phosphorylformate is sourced from PubChem (CID 512105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).