bis(2-propan-2-ylphenyl) hydrogen phosphate

C18H23O4P — CID 11088938

IUPACbis(2-propan-2-ylphenyl) hydrogen phosphate
SMILESCC(C)c1ccccc1OP(=O)(O)Oc1ccccc1C(C)C
InChIInChI=1S/C18H23O4P/c1-13(2)15-9-5-7-11-17(15)21-23(19,20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H,19,20)
InChIKeyBEAFHPLLBXXUHK-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.49
Rot. Bonds6

About bis(2-propan-2-ylphenyl) hydrogen phosphate

bis(2-propan-2-ylphenyl) hydrogen phosphate (PubChem CID 11088938) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is bis(2-propan-2-ylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-propan-2-ylphenyl) hydrogen phosphate
PubChem CID11088938
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Namebis(2-propan-2-ylphenyl) hydrogen phosphate
SMILESCC(C)c1ccccc1OP(=O)(O)Oc1ccccc1C(C)C
InChIInChI=1S/C18H23O4P/c1-13(2)15-9-5-7-11-17(15)21-23(19,20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H,19,20)
InChIKeyBEAFHPLLBXXUHK-UHFFFAOYSA-N
XLogP5.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 55.49
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(2-propan-2-ylphenyl) hydrogen phosphate?
The IUPAC name of bis(2-propan-2-ylphenyl) hydrogen phosphate (CID 11088938) is bis(2-propan-2-ylphenyl) hydrogen phosphate.
What is the SMILES notation for bis(2-propan-2-ylphenyl) hydrogen phosphate?
The canonical SMILES for bis(2-propan-2-ylphenyl) hydrogen phosphate is CC(C)c1ccccc1OP(=O)(O)Oc1ccccc1C(C)C.
What is the InChIKey of bis(2-propan-2-ylphenyl) hydrogen phosphate?
The InChIKey is BEAFHPLLBXXUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-13(2)15-9-5-7-11-17(15)21-23(19,20)22-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H,19,20).
What are the key properties of bis(2-propan-2-ylphenyl) hydrogen phosphate?
bis(2-propan-2-ylphenyl) hydrogen phosphate has a molecular weight of 334.35 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propan-2-ylphenyl) hydrogen phosphate is sourced from PubChem (CID 11088938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).