phosphono 2-oxo-3-phenylchromene-7-carboxylate

C16H11O7P — CID 57179300

IUPACphosphono 2-oxo-3-phenylchromene-7-carboxylate
SMILESO=C(OP(=O)(O)O)c1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C16H11O7P/c17-15(23-24(19,20)21)12-7-6-11-8-13(10-4-2-1-3-5-10)16(18)22-14(11)9-12/h1-9H,(H2,19,20,21)
InChIKeyFVZKPOQDOZCJAG-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.71
Rot. Bonds3

About phosphono 2-oxo-3-phenylchromene-7-carboxylate

phosphono 2-oxo-3-phenylchromene-7-carboxylate (PubChem CID 57179300) has the molecular formula C16H11O7P and a molecular weight of 346.23 g/mol. Its IUPAC name is phosphono 2-oxo-3-phenylchromene-7-carboxylate.

Molecular Properties

Compound Namephosphono 2-oxo-3-phenylchromene-7-carboxylate
PubChem CID57179300
Molecular FormulaC16H11O7P
Molecular Weight346.23 g/mol
Exact Mass346.02
IUPAC Namephosphono 2-oxo-3-phenylchromene-7-carboxylate
SMILESO=C(OP(=O)(O)O)c1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C16H11O7P/c17-15(23-24(19,20)21)12-7-6-11-8-13(10-4-2-1-3-5-10)16(18)22-14(11)9-12/h1-9H,(H2,19,20,21)
InChIKeyFVZKPOQDOZCJAG-UHFFFAOYSA-N
XLogP2.71
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphono 2-oxo-3-phenylchromene-7-carboxylate?
The IUPAC name of phosphono 2-oxo-3-phenylchromene-7-carboxylate (CID 57179300) is phosphono 2-oxo-3-phenylchromene-7-carboxylate.
What is the SMILES notation for phosphono 2-oxo-3-phenylchromene-7-carboxylate?
The canonical SMILES for phosphono 2-oxo-3-phenylchromene-7-carboxylate is O=C(OP(=O)(O)O)c1ccc2cc(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of phosphono 2-oxo-3-phenylchromene-7-carboxylate?
The InChIKey is FVZKPOQDOZCJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11O7P/c17-15(23-24(19,20)21)12-7-6-11-8-13(10-4-2-1-3-5-10)16(18)22-14(11)9-12/h1-9H,(H2,19,20,21).
What are the key properties of phosphono 2-oxo-3-phenylchromene-7-carboxylate?
phosphono 2-oxo-3-phenylchromene-7-carboxylate has a molecular weight of 346.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 2-oxo-3-phenylchromene-7-carboxylate is sourced from PubChem (CID 57179300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).