bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate

C25H29O4P — CID 3086236

IUPACbis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C25H29O4P/c1-16-8-10-23(19(4)12-16)27-30(26,28-24-11-9-17(2)13-20(24)5)29-25-21(6)14-18(3)15-22(25)7/h8-15H,1-7H3
InChIKeyVEYSNNZQNBBQLO-UHFFFAOYSA-N
MW424.48 g/mol
LogP7.49
Rot. Bonds6

About bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate

bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate (PubChem CID 3086236) has the molecular formula C25H29O4P and a molecular weight of 424.48 g/mol. Its IUPAC name is bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate.

Molecular Properties

Compound Namebis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate
PubChem CID3086236
Molecular FormulaC25H29O4P
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Namebis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C25H29O4P/c1-16-8-10-23(19(4)12-16)27-30(26,28-24-11-9-17(2)13-20(24)5)29-25-21(6)14-18(3)15-22(25)7/h8-15H,1-7H3
InChIKeyVEYSNNZQNBBQLO-UHFFFAOYSA-N
XLogP7.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 57.49
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(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate?
The IUPAC name of bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate (CID 3086236) is bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate.
What is the SMILES notation for bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate?
The canonical SMILES for bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate is Cc1ccc(OP(=O)(Oc2ccc(C)cc2C)Oc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate?
The InChIKey is VEYSNNZQNBBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29O4P/c1-16-8-10-23(19(4)12-16)27-30(26,28-24-11-9-17(2)13-20(24)5)29-25-21(6)14-18(3)15-22(25)7/h8-15H,1-7H3.
What are the key properties of bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate?
bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate has a molecular weight of 424.48 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylphenyl) (2,4,6-trimethylphenyl) phosphate is sourced from PubChem (CID 3086236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).