ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate

C22H22O6 — CID 1323587

IUPACethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1C
InChIInChI=1S/C22H22O6/c1-5-26-19(23)12-27-18-11-10-17-21(24)20(14(3)28-22(17)13(18)2)15-6-8-16(25-4)9-7-15/h6-11H,5,12H2,1-4H3
InChIKeyCYTGYMUSASISRK-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.03
Rot. Bonds6

About ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate

ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate (PubChem CID 1323587) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate
PubChem CID1323587
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Nameethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1C
InChIInChI=1S/C22H22O6/c1-5-26-19(23)12-27-18-11-10-17-21(24)20(14(3)28-22(17)13(18)2)15-6-8-16(25-4)9-7-15/h6-11H,5,12H2,1-4H3
InChIKeyCYTGYMUSASISRK-UHFFFAOYSA-N
XLogP4.03
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 1323662
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4,8-trimethylchromen-2-one
CID 983934
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
ethyl 3-[7-(2-amino-2-oxoethoxy)-4,8-dimethyl-2-oxochromen-3-yl]propanoate
CID 907650
methyl 2-(3-ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 889370
ethyl (2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxypropanoate
CID 1332926
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate?
The IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate (CID 1323587) is ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate?
The canonical SMILES for ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate is CCOC(=O)COc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1C.
What is the InChIKey of ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate?
The InChIKey is CYTGYMUSASISRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-5-26-19(23)12-27-18-11-10-17-21(24)20(14(3)28-22(17)13(18)2)15-6-8-16(25-4)9-7-15/h6-11H,5,12H2,1-4H3.
What are the key properties of ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate?
ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate has a molecular weight of 382.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate is sourced from PubChem (CID 1323587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).