bis(4-methylphenyl) hydrogen phosphate

C14H15O4P — CID 2829396

IUPACbis(4-methylphenyl) hydrogen phosphate
SMILESCc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C14H15O4P/c1-11-3-7-13(8-4-11)17-19(15,16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,15,16)
InChIKeyPLUDEAUQZKPAIN-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.86
Rot. Bonds4

About bis(4-methylphenyl) hydrogen phosphate

bis(4-methylphenyl) hydrogen phosphate (PubChem CID 2829396) has the molecular formula C14H15O4P and a molecular weight of 278.24 g/mol. Its IUPAC name is bis(4-methylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(4-methylphenyl) hydrogen phosphate
PubChem CID2829396
Molecular FormulaC14H15O4P
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Namebis(4-methylphenyl) hydrogen phosphate
SMILESCc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C14H15O4P/c1-11-3-7-13(8-4-11)17-19(15,16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,15,16)
InChIKeyPLUDEAUQZKPAIN-UHFFFAOYSA-N
XLogP3.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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) hydrogen phosphate?
The IUPAC name of bis(4-methylphenyl) hydrogen phosphate (CID 2829396) is bis(4-methylphenyl) hydrogen phosphate.
What is the SMILES notation for bis(4-methylphenyl) hydrogen phosphate?
The canonical SMILES for bis(4-methylphenyl) hydrogen phosphate is Cc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl) hydrogen phosphate?
The InChIKey is PLUDEAUQZKPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4P/c1-11-3-7-13(8-4-11)17-19(15,16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,15,16).
What are the key properties of bis(4-methylphenyl) hydrogen phosphate?
bis(4-methylphenyl) hydrogen phosphate has a molecular weight of 278.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl) hydrogen phosphate is sourced from PubChem (CID 2829396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).