ethyl 2-(3,4-difluorophenoxy)benzoate

C15H12F2O3 — CID 175272248

IUPACethyl 2-(3,4-difluorophenoxy)benzoate
SMILESCCOC(=O)c1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2O3/c1-2-19-15(18)11-5-3-4-6-14(11)20-10-7-8-12(16)13(17)9-10/h3-9H,2H2,1H3
InChIKeyAAJGCOKLRXYIJX-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.93
Rot. Bonds4

About ethyl 2-(3,4-difluorophenoxy)benzoate

ethyl 2-(3,4-difluorophenoxy)benzoate (PubChem CID 175272248) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is ethyl 2-(3,4-difluorophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-(3,4-difluorophenoxy)benzoate
PubChem CID175272248
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Nameethyl 2-(3,4-difluorophenoxy)benzoate
SMILESCCOC(=O)c1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2O3/c1-2-19-15(18)11-5-3-4-6-14(11)20-10-7-8-12(16)13(17)9-10/h3-9H,2H2,1H3
InChIKeyAAJGCOKLRXYIJX-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
ethyl 5-(4-bromophenoxy)-2-fluorobenzoate
CID 164893643
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-amino-3-(4-chloro-3-methylphenoxy)benzoate
CID 115546867
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-difluorophenoxy)benzoate?
The IUPAC name of ethyl 2-(3,4-difluorophenoxy)benzoate (CID 175272248) is ethyl 2-(3,4-difluorophenoxy)benzoate.
What is the SMILES notation for ethyl 2-(3,4-difluorophenoxy)benzoate?
The canonical SMILES for ethyl 2-(3,4-difluorophenoxy)benzoate is CCOC(=O)c1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of ethyl 2-(3,4-difluorophenoxy)benzoate?
The InChIKey is AAJGCOKLRXYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-2-19-15(18)11-5-3-4-6-14(11)20-10-7-8-12(16)13(17)9-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-(3,4-difluorophenoxy)benzoate?
ethyl 2-(3,4-difluorophenoxy)benzoate has a molecular weight of 278.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-difluorophenoxy)benzoate is sourced from PubChem (CID 175272248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).