[4-(2-methylphenyl)phenyl] dihydrogen phosphate

C13H13O4P — CID 141033820

IUPAC[4-(2-methylphenyl)phenyl] dihydrogen phosphate
SMILESCc1ccccc1-c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C13H13O4P/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17-18(14,15)16/h2-9H,1H3,(H2,14,15,16)
InChIKeyPDKBOCVGCVDACO-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.13
Rot. Bonds3

About [4-(2-methylphenyl)phenyl] dihydrogen phosphate

[4-(2-methylphenyl)phenyl] dihydrogen phosphate (PubChem CID 141033820) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is [4-(2-methylphenyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-(2-methylphenyl)phenyl] dihydrogen phosphate
PubChem CID141033820
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Name[4-(2-methylphenyl)phenyl] dihydrogen phosphate
SMILESCc1ccccc1-c1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C13H13O4P/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17-18(14,15)16/h2-9H,1H3,(H2,14,15,16)
InChIKeyPDKBOCVGCVDACO-UHFFFAOYSA-N
XLogP3.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methylphenyl)phenyl] dihydrogen phosphate?
The IUPAC name of [4-(2-methylphenyl)phenyl] dihydrogen phosphate (CID 141033820) is [4-(2-methylphenyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [4-(2-methylphenyl)phenyl] dihydrogen phosphate?
The canonical SMILES for [4-(2-methylphenyl)phenyl] dihydrogen phosphate is Cc1ccccc1-c1ccc(OP(=O)(O)O)cc1.
What is the InChIKey of [4-(2-methylphenyl)phenyl] dihydrogen phosphate?
The InChIKey is PDKBOCVGCVDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17-18(14,15)16/h2-9H,1H3,(H2,14,15,16).
What are the key properties of [4-(2-methylphenyl)phenyl] dihydrogen phosphate?
[4-(2-methylphenyl)phenyl] dihydrogen phosphate has a molecular weight of 264.22 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 141033820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).