ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate

C26H21F3O6 — CID 2337444

IUPACethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1cc2oc(C(F)(F)F)c(Oc3ccc4ccccc4c3)c(=O)c2cc1CC
InChIInChI=1S/C26H21F3O6/c1-3-15-12-19-21(13-20(15)33-14-22(30)32-4-2)35-25(26(27,28)29)24(23(19)31)34-18-10-9-16-7-5-6-8-17(16)11-18/h5-13H,3-4,14H2,1-2H3
InChIKeyLCTUPABHMVRMFX-UHFFFAOYSA-N
MW486.44 g/mol
LogP6.26
Rot. Bonds7

About ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate

ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate (PubChem CID 2337444) has the molecular formula C26H21F3O6 and a molecular weight of 486.44 g/mol. Its IUPAC name is ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
PubChem CID2337444
Molecular FormulaC26H21F3O6
Molecular Weight486.44 g/mol
Exact Mass486.13
IUPAC Nameethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1cc2oc(C(F)(F)F)c(Oc3ccc4ccccc4c3)c(=O)c2cc1CC
InChIInChI=1S/C26H21F3O6/c1-3-15-12-19-21(13-20(15)33-14-22(30)32-4-2)35-25(26(27,28)29)24(23(19)31)34-18-10-9-16-7-5-6-8-17(16)11-18/h5-13H,3-4,14H2,1-2H3
InChIKeyLCTUPABHMVRMFX-UHFFFAOYSA-N
XLogP6.26
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-ethyl-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-(4-bromophenoxy)acetate
CID 2312977
ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 1323662
[3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-(4-chloro-3,5-dimethylphenoxy)butanoate
CID 2074828
7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one
CID 4108729
2-methylpropyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 1182848
2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid
CID 7140143
N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 2351771
ethyl (3S)-1-[2-(6-ethyl-2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]piperidine-3-carboxylate
CID 26887929
methyl 2-[3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 110275221
ethyl 4-[7-[(2-chlorophenyl)methoxy]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 95398590
butan-2-yl 2-[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 5059872
N-benzyl-2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 1193495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate (CID 2337444) is ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate is CCOC(=O)COc1cc2oc(C(F)(F)F)c(Oc3ccc4ccccc4c3)c(=O)c2cc1CC.
What is the InChIKey of ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
The InChIKey is LCTUPABHMVRMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3O6/c1-3-15-12-19-21(13-20(15)33-14-22(30)32-4-2)35-25(26(27,28)29)24(23(19)31)34-18-10-9-16-7-5-6-8-17(16)11-18/h5-13H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
ethyl 2-[6-ethyl-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate has a molecular weight of 486.44 g/mol, XLogP of 6.26, 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-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate is sourced from PubChem (CID 2337444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).