ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate

C17H14ClFO4 — CID 58962617

IUPACethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(F)c1
InChIInChI=1S/C17H14ClFO4/c1-2-22-16(20)10-23-15-7-6-12(18)9-14(15)17(21)11-4-3-5-13(19)8-11/h3-9H,2,10H2,1H3
InChIKeyJQFKEDWOSAABEU-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.65
Rot. Bonds6

About ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate

ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate (PubChem CID 58962617) has the molecular formula C17H14ClFO4 and a molecular weight of 336.75 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
PubChem CID58962617
Molecular FormulaC17H14ClFO4
Molecular Weight336.75 g/mol
Exact Mass336.06
IUPAC Nameethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(F)c1
InChIInChI=1S/C17H14ClFO4/c1-2-22-16(20)10-23-15-7-6-12(18)9-14(15)17(21)11-4-3-5-13(19)8-11/h3-9H,2,10H2,1H3
InChIKeyJQFKEDWOSAABEU-UHFFFAOYSA-N
XLogP3.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]acetic acid;ethyl 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]acetate
CID 161411861
ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate
CID 54226041
ethyl 2-[4-chloro-2-(3-cyano-5-methylbenzoyl)phenoxy]acetate
CID 23596859
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
2-[4-chloro-2-(3-fluoro-5-methoxybenzoyl)phenoxy]acetic acid
CID 58618193
ethyl 2-[2-chloro-4-fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]phenoxy]acetate
CID 89444345
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate (CID 58962617) is ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate is CCOC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(F)c1.
What is the InChIKey of ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate?
The InChIKey is JQFKEDWOSAABEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO4/c1-2-22-16(20)10-23-15-7-6-12(18)9-14(15)17(21)11-4-3-5-13(19)8-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate?
ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate has a molecular weight of 336.75 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate is sourced from PubChem (CID 58962617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).