3-carbazol-9-ylpropylphosphonic acid

C15H16NO3P — CID 59172009

IUPAC3-carbazol-9-ylpropylphosphonic acid
SMILESO=P(O)(O)CCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C15H16NO3P/c17-20(18,19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9H,5,10-11H2,(H2,17,18,19)
InChIKeySYPSXKFLPUSGSP-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.36
Rot. Bonds4

About 3-carbazol-9-ylpropylphosphonic acid

3-carbazol-9-ylpropylphosphonic acid (PubChem CID 59172009) has the molecular formula C15H16NO3P and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-carbazol-9-ylpropylphosphonic acid.

Molecular Properties

Compound Name3-carbazol-9-ylpropylphosphonic acid
PubChem CID59172009
Molecular FormulaC15H16NO3P
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-carbazol-9-ylpropylphosphonic acid
SMILESO=P(O)(O)CCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C15H16NO3P/c17-20(18,19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9H,5,10-11H2,(H2,17,18,19)
InChIKeySYPSXKFLPUSGSP-UHFFFAOYSA-N
XLogP3.36
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.36
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 3-carbazol-9-ylpropylphosphonic acid?
The IUPAC name of 3-carbazol-9-ylpropylphosphonic acid (CID 59172009) is 3-carbazol-9-ylpropylphosphonic acid.
What is the SMILES notation for 3-carbazol-9-ylpropylphosphonic acid?
The canonical SMILES for 3-carbazol-9-ylpropylphosphonic acid is O=P(O)(O)CCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-ylpropylphosphonic acid?
The InChIKey is SYPSXKFLPUSGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO3P/c17-20(18,19)11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9H,5,10-11H2,(H2,17,18,19).
What are the key properties of 3-carbazol-9-ylpropylphosphonic acid?
3-carbazol-9-ylpropylphosphonic acid has a molecular weight of 289.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-ylpropylphosphonic acid is sourced from PubChem (CID 59172009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).