ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate

C23H24O6 — CID 1323662

IUPACethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1cc2oc(C)c(-c3ccc(OC)cc3)c(=O)c2cc1CC
InChIInChI=1S/C23H24O6/c1-5-15-11-18-20(12-19(15)28-13-21(24)27-6-2)29-14(3)22(23(18)25)16-7-9-17(26-4)10-8-16/h7-12H,5-6,13H2,1-4H3
InChIKeyBWZGNXDENMKINC-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.28
Rot. Bonds7

About ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate

ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate (PubChem CID 1323662) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
PubChem CID1323662
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Nameethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1cc2oc(C)c(-c3ccc(OC)cc3)c(=O)c2cc1CC
InChIInChI=1S/C23H24O6/c1-5-15-11-18-20(12-19(15)28-13-21(24)27-6-2)29-14(3)22(23(18)25)16-7-9-17(26-4)10-8-16/h7-12H,5-6,13H2,1-4H3
InChIKeyBWZGNXDENMKINC-UHFFFAOYSA-N
XLogP4.28
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate
CID 1323587
2-[6-ethyl-3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetic acid
CID 1322096
ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 2337444
6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
CID 13443565
benzyl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propylchromen-7-yl]oxyacetate
CID 4630782
6-ethyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-3-(2-nitrophenoxy)chromen-4-one
CID 23795779
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-(2-methylprop-2-enoxy)chromen-4-one
CID 1050259
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one
CID 4533343
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
2-[3-(1,3-benzothiazol-3-ium-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 1415788
ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
CID 912979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate (CID 1323662) is ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate is CCOC(=O)COc1cc2oc(C)c(-c3ccc(OC)cc3)c(=O)c2cc1CC.
What is the InChIKey of ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate?
The InChIKey is BWZGNXDENMKINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-5-15-11-18-20(12-19(15)28-13-21(24)27-6-2)29-14(3)22(23(18)25)16-7-9-17(26-4)10-8-16/h7-12H,5-6,13H2,1-4H3.
What are the key properties of ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate?
ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate has a molecular weight of 396.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate is sourced from PubChem (CID 1323662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).