ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate

C18H17ClF2O5 — CID 141217736

IUPACethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(Cl)ccc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C18H17ClF2O5/c1-3-24-17(22)10-26-16-8-11(19)4-6-15(16)25-9-12-14(23-2)7-5-13(20)18(12)21/h4-8H,3,9-10H2,1-2H3
InChIKeyMJNYKWCXJORSKQ-UHFFFAOYSA-N
MW386.78 g/mol
LogP4.15
Rot. Bonds8

About ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate

ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate (PubChem CID 141217736) has the molecular formula C18H17ClF2O5 and a molecular weight of 386.78 g/mol. Its IUPAC name is ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate
PubChem CID141217736
Molecular FormulaC18H17ClF2O5
Molecular Weight386.78 g/mol
Exact Mass386.07
IUPAC Nameethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(Cl)ccc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C18H17ClF2O5/c1-3-24-17(22)10-26-16-8-11(19)4-6-15(16)25-9-12-14(23-2)7-5-13(20)18(12)21/h4-8H,3,9-10H2,1-2H3
InChIKeyMJNYKWCXJORSKQ-UHFFFAOYSA-N
XLogP4.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.78
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-[6-methoxy-2-(methoxymethyl)-8-oxo-7H-purin-9-yl]phenoxy]acetate
CID 59310070
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol
CID 166065798
5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoic acid
CID 113438814
ethyl 2-amino-3-(2,3-difluoro-6-methoxyphenyl)propanoate
CID 170885225
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056
2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(6-methoxy-2-methyl-8-oxo-7H-purin-9-yl)phenoxy]acetamide
CID 59309949
ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
CID 58962617
4-[(4-ethoxy-2,3,5,6-tetrafluorophenyl)methoxy]-3-methoxybenzoyl chloride
CID 18346503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate?
The IUPAC name of ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate (CID 141217736) is ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate?
The canonical SMILES for ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate is CCOC(=O)COc1cc(Cl)ccc1OCc1c(OC)ccc(F)c1F.
What is the InChIKey of ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate?
The InChIKey is MJNYKWCXJORSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2O5/c1-3-24-17(22)10-26-16-8-11(19)4-6-15(16)25-9-12-14(23-2)7-5-13(20)18(12)21/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate?
ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate has a molecular weight of 386.78 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate is sourced from PubChem (CID 141217736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).