methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate

C25H20O6 — CID 1286937

IUPACmethyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)cc1
InChIInChI=1S/C25H20O6/c1-16-24(31-19-6-4-3-5-7-19)23(26)21-13-12-20(14-22(21)30-16)29-15-17-8-10-18(11-9-17)25(27)28-2/h3-14H,15H2,1-2H3
InChIKeyIYGXKRPMGVTNBW-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.26
Rot. Bonds6

About methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate

methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate (PubChem CID 1286937) has the molecular formula C25H20O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
PubChem CID1286937
Molecular FormulaC25H20O6
Molecular Weight416.43 g/mol
Exact Mass416.13
IUPAC Namemethyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)cc1
InChIInChI=1S/C25H20O6/c1-16-24(31-19-6-4-3-5-7-19)23(26)21-13-12-20(14-22(21)30-16)29-15-17-8-10-18(11-9-17)25(27)28-2/h3-14H,15H2,1-2H3
InChIKeyIYGXKRPMGVTNBW-UHFFFAOYSA-N
XLogP5.26
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate with MolForge

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Related Compounds

N-hydroxy-4-[[3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl]oxymethyl]benzeneamine oxide
CID 163141415
ethyl 4-[2-methyl-7-[(4-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2000239
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
methyl 4-[7-(2-chloropropanoyloxy)-2-methyl-4-oxochromen-3-yl]oxybenzoate
CID 110274745
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
CID 2322568
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
methyl 4-[2-methyl-4-oxo-7-[2-(2,3,4,5,6-pentafluorophenoxy)propanoyloxy]chromen-3-yl]oxybenzoate
CID 110274143
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate?
The IUPAC name of methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate (CID 1286937) is methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate is COC(=O)c1ccc(COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)cc1.
What is the InChIKey of methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate?
The InChIKey is IYGXKRPMGVTNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O6/c1-16-24(31-19-6-4-3-5-7-19)23(26)21-13-12-20(14-22(21)30-16)29-15-17-8-10-18(11-9-17)25(27)28-2/h3-14H,15H2,1-2H3.
What are the key properties of methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate?
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate has a molecular weight of 416.43 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate is sourced from PubChem (CID 1286937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).