ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate

C27H24O7 — CID 2938832

IUPACethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1)c1ccccc1
InChIInChI=1S/C27H24O7/c1-4-31-27(29)26(18-10-6-5-7-11-18)33-19-14-15-20-23(16-19)32-17(2)25(24(20)28)34-22-13-9-8-12-21(22)30-3/h5-16,26H,4H2,1-3H3
InChIKeyFKLXHSUDPGFIMB-UHFFFAOYSA-N
MW460.48 g/mol
LogP5.59
Rot. Bonds8

About ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate

ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate (PubChem CID 2938832) has the molecular formula C27H24O7 and a molecular weight of 460.48 g/mol. Its IUPAC name is ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
PubChem CID2938832
Molecular FormulaC27H24O7
Molecular Weight460.48 g/mol
Exact Mass460.15
IUPAC Nameethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1)c1ccccc1
InChIInChI=1S/C27H24O7/c1-4-31-27(29)26(18-10-6-5-7-11-18)33-19-14-15-20-23(16-19)32-17(2)25(24(20)28)34-22-13-9-8-12-21(22)30-3/h5-16,26H,4H2,1-3H3
InChIKeyFKLXHSUDPGFIMB-UHFFFAOYSA-N
XLogP5.59
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-(3,4-dimethoxyphenyl)-7-(2-ethoxy-2-oxo-1-phenylethoxy)-4-oxochromene-2-carboxylate
CID 5159013
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
ethyl (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetate
CID 2277249
(2S)-N-(2-methoxy-5-methylphenyl)-2-[2-methyl-4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxy-2-phenylacetamide
CID 2410882
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291
benzyl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 3530480
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
ethyl (2S)-2-(2-oxochromen-7-yl)oxy-2-phenylacetate
CID 2325657
propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2000802
methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate
CID 7345331
[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 2-chloro-2-phenylacetate
CID 110274429
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate?
The IUPAC name of ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate (CID 2938832) is ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate?
The canonical SMILES for ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate is CCOC(=O)C(Oc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1)c1ccccc1.
What is the InChIKey of ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate?
The InChIKey is FKLXHSUDPGFIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O7/c1-4-31-27(29)26(18-10-6-5-7-11-18)33-19-14-15-20-23(16-19)32-17(2)25(24(20)28)34-22-13-9-8-12-21(22)30-3/h5-16,26H,4H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate?
ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate has a molecular weight of 460.48 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate is sourced from PubChem (CID 2938832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).