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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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).