ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate

C22H18ClF3O4 — CID 14520301

IUPACethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1
InChIInChI=1S/C22H18ClF3O4/c1-3-28-21(27)13(2)29-17-7-4-15-11-18(8-5-14(15)10-17)30-20-9-6-16(12-19(20)23)22(24,25)26/h4-13H,3H2,1-2H3
InChIKeyTZWFWIROMAJWFR-UHFFFAOYSA-N
MW438.83 g/mol
LogP6.63
Rot. Bonds6

About ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate

ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate (PubChem CID 14520301) has the molecular formula C22H18ClF3O4 and a molecular weight of 438.83 g/mol. Its IUPAC name is ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate
PubChem CID14520301
Molecular FormulaC22H18ClF3O4
Molecular Weight438.83 g/mol
Exact Mass438.08
IUPAC Nameethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1
InChIInChI=1S/C22H18ClF3O4/c1-3-28-21(27)13(2)29-17-7-4-15-11-18(8-5-14(15)10-17)30-20-9-6-16(12-19(20)23)22(24,25)26/h4-13H,3H2,1-2H3
InChIKeyTZWFWIROMAJWFR-UHFFFAOYSA-N
XLogP6.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate 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

Methyl alpha-(2-naphthyloxy)-alpha-[p-(p-chlorophenoxy)phenyl]acetate
CID 12531867
2-Naphthyl (4-chlorophenoxy)acetate
CID 721361
Lonaprofen
CID 68665
Glutaric acid, 2-chloro-6-fluorophenyl 2-naphthyl ester
CID 91718927
(2R)-2-[2,6-dichloro-4-[4-(trifluoromethoxy)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10116163
Hexyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 12797873
Butyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 12797877
Methyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 12906019
Ethyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 12906020
Prop-2-enyl 2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 12906021
Methyl 3-(2'-chloro-4'-trifluoromethylphenoxy)-benzoxyacetate
CID 13090689
Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, 2-ethoxy-1-methyl-2-oxoethyl ester
CID 13228664

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate?
The IUPAC name of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate (CID 14520301) is ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate is CCOC(=O)C(C)Oc1ccc2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2c1.
What is the InChIKey of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate?
The InChIKey is TZWFWIROMAJWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3O4/c1-3-28-21(27)13(2)29-17-7-4-15-11-18(8-5-14(15)10-17)30-20-9-6-16(12-19(20)23)22(24,25)26/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate?
ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate has a molecular weight of 438.83 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate is sourced from PubChem (CID 14520301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).