3-diethoxyphosphorylchromen-2-one

C13H15O5P — CID 11323513

IUPAC3-diethoxyphosphorylchromen-2-one
SMILESCCOP(=O)(OCC)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H15O5P/c1-3-16-19(15,17-4-2)12-9-10-7-5-6-8-11(10)18-13(12)14/h5-9H,3-4H2,1-2H3
InChIKeyQLOSKODEUMMGBC-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.68
Rot. Bonds5

About 3-diethoxyphosphorylchromen-2-one

3-diethoxyphosphorylchromen-2-one (PubChem CID 11323513) has the molecular formula C13H15O5P and a molecular weight of 282.23 g/mol. Its IUPAC name is 3-diethoxyphosphorylchromen-2-one.

Molecular Properties

Compound Name3-diethoxyphosphorylchromen-2-one
PubChem CID11323513
Molecular FormulaC13H15O5P
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name3-diethoxyphosphorylchromen-2-one
SMILESCCOP(=O)(OCC)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H15O5P/c1-3-16-19(15,17-4-2)12-9-10-7-5-6-8-11(10)18-13(12)14/h5-9H,3-4H2,1-2H3
InChIKeyQLOSKODEUMMGBC-UHFFFAOYSA-N
XLogP2.68
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
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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Related Compounds

3-di(propan-2-yloxy)phosphorylchromen-2-one
CID 132918495
8-bromo-3-diethoxyphosphorylchromen-2-one
CID 134912277
3-(7-diethoxyphosphoryl-2,3-dihydro-1H-1,4-diazepin-5-yl)chromen-2-one
CID 177401078
1-benzofuran-2-ylmethyl(ethoxy)phosphinic acid
CID 86095928
3-diethoxyphosphoryl-4-phenylchromen-2-one
CID 102142153
2-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-benzofuran
CID 10044163
3-trimethylsilylchromen-2-one
CID 71378789
3-(hydroxymethyl)chromen-2-one
CID 22921481
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
CID 90509622
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen
CID 170712291

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylchromen-2-one?
The IUPAC name of 3-diethoxyphosphorylchromen-2-one (CID 11323513) is 3-diethoxyphosphorylchromen-2-one.
What is the SMILES notation for 3-diethoxyphosphorylchromen-2-one?
The canonical SMILES for 3-diethoxyphosphorylchromen-2-one is CCOP(=O)(OCC)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-diethoxyphosphorylchromen-2-one?
The InChIKey is QLOSKODEUMMGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O5P/c1-3-16-19(15,17-4-2)12-9-10-7-5-6-8-11(10)18-13(12)14/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylchromen-2-one?
3-diethoxyphosphorylchromen-2-one has a molecular weight of 282.23 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylchromen-2-one is sourced from PubChem (CID 11323513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).