(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate

C26H25O4P — CID 139980272

IUPAC(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate
SMILESCCCc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C26H25O4P/c1-3-7-21-14-18-24(19-15-21)29-31(27,28-23-16-12-20(2)13-17-23)30-26-11-6-9-22-8-4-5-10-25(22)26/h4-6,8-19H,3,7H2,1-2H3
InChIKeyDMZJSVPLEQWURR-UHFFFAOYSA-N
MW432.46 g/mol
LogP7.75
Rot. Bonds8

About (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate

(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate (PubChem CID 139980272) has the molecular formula C26H25O4P and a molecular weight of 432.46 g/mol. Its IUPAC name is (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate.

Molecular Properties

Compound Name(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate
PubChem CID139980272
Molecular FormulaC26H25O4P
Molecular Weight432.46 g/mol
Exact Mass432.15
IUPAC Name(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate
SMILESCCCc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C26H25O4P/c1-3-7-21-14-18-24(19-15-21)29-31(27,28-23-16-12-20(2)13-17-23)30-26-11-6-9-22-8-4-5-10-25(22)26/h4-6,8-19H,3,7H2,1-2H3
InChIKeyDMZJSVPLEQWURR-UHFFFAOYSA-N
XLogP7.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 57.75
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 (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate?
The IUPAC name of (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate (CID 139980272) is (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate.
What is the SMILES notation for (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate?
The canonical SMILES for (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate is CCCc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2cccc3ccccc23)cc1.
What is the InChIKey of (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate?
The InChIKey is DMZJSVPLEQWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25O4P/c1-3-7-21-14-18-24(19-15-21)29-31(27,28-23-16-12-20(2)13-17-23)30-26-11-6-9-22-8-4-5-10-25(22)26/h4-6,8-19H,3,7H2,1-2H3.
What are the key properties of (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate?
(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate has a molecular weight of 432.46 g/mol, XLogP of 7.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate is sourced from PubChem (CID 139980272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).