diethyl (4-methyl-2-oxochromen-7-yl) phosphate

C14H17O6P — CID 13477

IUPACdiethyl (4-methyl-2-oxochromen-7-yl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H17O6P/c1-4-17-21(16,18-5-2)20-11-6-7-12-10(3)8-14(15)19-13(12)9-11/h6-9H,4-5H2,1-3H3
InChIKeyGHGRYKAFUNNHBG-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.66
Rot. Bonds6

About diethyl (4-methyl-2-oxochromen-7-yl) phosphate

diethyl (4-methyl-2-oxochromen-7-yl) phosphate (PubChem CID 13477) has the molecular formula C14H17O6P and a molecular weight of 312.26 g/mol. Its IUPAC name is diethyl (4-methyl-2-oxochromen-7-yl) phosphate.

Molecular Properties

Compound Namediethyl (4-methyl-2-oxochromen-7-yl) phosphate
PubChem CID13477
Molecular FormulaC14H17O6P
Molecular Weight312.26 g/mol
Exact Mass312.08
IUPAC Namediethyl (4-methyl-2-oxochromen-7-yl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H17O6P/c1-4-17-21(16,18-5-2)20-11-6-7-12-10(3)8-14(15)19-13(12)9-11/h6-9H,4-5H2,1-3H3
InChIKeyGHGRYKAFUNNHBG-UHFFFAOYSA-N
XLogP3.66
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[ethoxy(hydroxy)phosphinothioyl]oxy-4-methylchromen-2-one
CID 89157265
7-[ethoxy(heptyl)phosphoryl]oxy-4-methylchromen-2-one
CID 90888191
sodium bis(4-methyl-2-oxochromen-7-yl) phosphate
CID 23674452
7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one
CID 87105987
(4-methyl-2-oxochromen-7-yl) 4-ethoxybenzoate
CID 836179
(3-hydroxy-4-methyl-2-oxochromen-7-yl) (4-methyl-2-oxochromen-7-yl) hydrogen phosphate
CID 90320061
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
2-(4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 5006942
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193

Frequently Asked Questions

What is the IUPAC name of diethyl (4-methyl-2-oxochromen-7-yl) phosphate?
The IUPAC name of diethyl (4-methyl-2-oxochromen-7-yl) phosphate (CID 13477) is diethyl (4-methyl-2-oxochromen-7-yl) phosphate.
What is the SMILES notation for diethyl (4-methyl-2-oxochromen-7-yl) phosphate?
The canonical SMILES for diethyl (4-methyl-2-oxochromen-7-yl) phosphate is CCOP(=O)(OCC)Oc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of diethyl (4-methyl-2-oxochromen-7-yl) phosphate?
The InChIKey is GHGRYKAFUNNHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O6P/c1-4-17-21(16,18-5-2)20-11-6-7-12-10(3)8-14(15)19-13(12)9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of diethyl (4-methyl-2-oxochromen-7-yl) phosphate?
diethyl (4-methyl-2-oxochromen-7-yl) phosphate has a molecular weight of 312.26 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4-methyl-2-oxochromen-7-yl) phosphate is sourced from PubChem (CID 13477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).