bis(4-methylphenyl) phenyl phosphate

C20H19O4P — CID 631942

IUPACbis(4-methylphenyl) phenyl phosphate
SMILESCc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H19O4P/c1-16-8-12-19(13-9-16)23-25(21,22-18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChIKeyNVMHZSCMWYZDCC-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.95
Rot. Bonds6

About bis(4-methylphenyl) phenyl phosphate

bis(4-methylphenyl) phenyl phosphate (PubChem CID 631942) has the molecular formula C20H19O4P and a molecular weight of 354.34 g/mol. Its IUPAC name is bis(4-methylphenyl) phenyl phosphate.

Molecular Properties

Compound Namebis(4-methylphenyl) phenyl phosphate
PubChem CID631942
Molecular FormulaC20H19O4P
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Namebis(4-methylphenyl) phenyl phosphate
SMILESCc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H19O4P/c1-16-8-12-19(13-9-16)23-25(21,22-18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChIKeyNVMHZSCMWYZDCC-UHFFFAOYSA-N
XLogP5.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.95
H-Bond Donors ≤ 50
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 bis(4-methylphenyl) phenyl phosphate?
The IUPAC name of bis(4-methylphenyl) phenyl phosphate (CID 631942) is bis(4-methylphenyl) phenyl phosphate.
What is the SMILES notation for bis(4-methylphenyl) phenyl phosphate?
The canonical SMILES for bis(4-methylphenyl) phenyl phosphate is Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl) phenyl phosphate?
The InChIKey is NVMHZSCMWYZDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O4P/c1-16-8-12-19(13-9-16)23-25(21,22-18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15H,1-2H3.
What are the key properties of bis(4-methylphenyl) phenyl phosphate?
bis(4-methylphenyl) phenyl phosphate has a molecular weight of 354.34 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl) phenyl phosphate is sourced from PubChem (CID 631942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).