ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate

C21H19ClO5 — CID 7742658

IUPACethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
SMILESCCOC(=O)COc1c(-c2ccccc2Cl)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C21H19ClO5/c1-4-25-18(23)11-26-21-19(24)15-9-12(2)13(3)10-17(15)27-20(21)14-7-5-6-8-16(14)22/h5-10H,4,11H2,1-3H3
InChIKeyAGXXUCGQQZRHMG-UHFFFAOYSA-N
MW386.83 g/mol
LogP4.67
Rot. Bonds5

About ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate

ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate (PubChem CID 7742658) has the molecular formula C21H19ClO5 and a molecular weight of 386.83 g/mol. Its IUPAC name is ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
PubChem CID7742658
Molecular FormulaC21H19ClO5
Molecular Weight386.83 g/mol
Exact Mass386.09
IUPAC Nameethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
SMILESCCOC(=O)COc1c(-c2ccccc2Cl)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C21H19ClO5/c1-4-25-18(23)11-26-21-19(24)15-9-12(2)13(3)10-17(15)27-20(21)14-7-5-6-8-16(14)22/h5-10H,4,11H2,1-3H3
InChIKeyAGXXUCGQQZRHMG-UHFFFAOYSA-N
XLogP4.67
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 1413359
[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] furan-2-carboxylate
CID 7742643
2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide
CID 21001305
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate
CID 21001559
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 21001547
ethyl 2-[2,6-dichloro-4-[(1,3-dioxoinden-2-ylidene)methyl]phenoxy]acetate
CID 1324447
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate (CID 7742658) is ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate is CCOC(=O)COc1c(-c2ccccc2Cl)oc2cc(C)c(C)cc2c1=O.
What is the InChIKey of ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The InChIKey is AGXXUCGQQZRHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClO5/c1-4-25-18(23)11-26-21-19(24)15-9-12(2)13(3)10-17(15)27-20(21)14-7-5-6-8-16(14)22/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate has a molecular weight of 386.83 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate is sourced from PubChem (CID 7742658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).