methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate

C17H14ClF3O4 — CID 13090689

IUPACmethyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate
SMILESCOC(=O)COCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C17H14ClF3O4/c1-23-16(22)10-24-9-11-3-2-4-13(7-11)25-15-6-5-12(8-14(15)18)17(19,20)21/h2-8H,9-10H2,1H3
InChIKeyRYWBBUDNAQDLLJ-UHFFFAOYSA-N
MW374.74 g/mol
LogP4.84
Rot. Bonds6

About methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate

methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate (PubChem CID 13090689) has the molecular formula C17H14ClF3O4 and a molecular weight of 374.74 g/mol. Its IUPAC name is methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate
PubChem CID13090689
Molecular FormulaC17H14ClF3O4
Molecular Weight374.74 g/mol
Exact Mass374.05
IUPAC Namemethyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate
SMILESCOC(=O)COCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C17H14ClF3O4/c1-23-16(22)10-24-9-11-3-2-4-13(7-11)25-15-6-5-12(8-14(15)18)17(19,20)21/h2-8H,9-10H2,1H3
InChIKeyRYWBBUDNAQDLLJ-UHFFFAOYSA-N
XLogP4.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Chloro-5-methyl-phenoxy)-acetic acid
CID 2060563
2-(2-Chloro-4-methylphenoxy)acetic acid
CID 248361
4-Chloro-4'-[(methoxycarbonyl)methoxy]-E-stilbene
CID 5378591
2-(2-Chloro-4-phenylphenoxy)acetic acid
CID 4962227
[(4-Chlorophenyl)-dimethoxyphosphorylmethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 76330027
[(2-Chlorophenyl)-dimethoxyphosphorylmethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 76333674
2-(2-Chloro-4-methylphenoxy)propanoic acid
CID 22118240
4-Fluorophenethyl 2-(2,4-dichlorophenoxy)propanoate
CID 71212764
4-[2-Chloro-4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-6-fluorophenoxy]butanoic acid
CID 121447462
Lonaprofen
CID 68665
(2-Chloro-6-fluorophenyl)methyl 2-(4-methoxyphenoxy)acetate
CID 2358458
[(3-Chlorophenyl)-dimethoxyphosphorylmethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 11554247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate?
The IUPAC name of methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate (CID 13090689) is methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate.
What is the SMILES notation for methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate?
The canonical SMILES for methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate is COC(=O)COCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate?
The InChIKey is RYWBBUDNAQDLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3O4/c1-23-16(22)10-24-9-11-3-2-4-13(7-11)25-15-6-5-12(8-14(15)18)17(19,20)21/h2-8H,9-10H2,1H3.
What are the key properties of methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate?
methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate has a molecular weight of 374.74 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methoxy]acetate is sourced from PubChem (CID 13090689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).