[4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid

C15H12NO5P — CID 19018245

IUPAC[4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid
SMILESO=C1c2ccccc2C(=O)N1c1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C15H12NO5P/c17-14-12-3-1-2-4-13(12)15(18)16(14)11-7-5-10(6-8-11)9-22(19,20)21/h1-8H,9H2,(H2,19,20,21)
InChIKeyNYDSHWZIQMGRPZ-UHFFFAOYSA-N
MW317.24 g/mol
LogP2.16
Rot. Bonds3

About [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid

[4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid (PubChem CID 19018245) has the molecular formula C15H12NO5P and a molecular weight of 317.24 g/mol. Its IUPAC name is [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid
PubChem CID19018245
Molecular FormulaC15H12NO5P
Molecular Weight317.24 g/mol
Exact Mass317.05
IUPAC Name[4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid
SMILESO=C1c2ccccc2C(=O)N1c1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C15H12NO5P/c17-14-12-3-1-2-4-13(12)15(18)16(14)11-7-5-10(6-8-11)9-22(19,20)21/h1-8H,9H2,(H2,19,20,21)
InChIKeyNYDSHWZIQMGRPZ-UHFFFAOYSA-N
XLogP2.16
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid?
The IUPAC name of [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid (CID 19018245) is [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid.
What is the SMILES notation for [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid?
The canonical SMILES for [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid is O=C1c2ccccc2C(=O)N1c1ccc(CP(=O)(O)O)cc1.
What is the InChIKey of [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid?
The InChIKey is NYDSHWZIQMGRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12NO5P/c17-14-12-3-1-2-4-13(12)15(18)16(14)11-7-5-10(6-8-11)9-22(19,20)21/h1-8H,9H2,(H2,19,20,21).
What are the key properties of [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid?
[4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid has a molecular weight of 317.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid is sourced from PubChem (CID 19018245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).