ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate

C19H19ClO4 — CID 54226041

IUPACethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO4/c1-3-13-5-10-17(24-12-18(21)23-4-2)16(11-13)19(22)14-6-8-15(20)9-7-14/h5-11H,3-4,12H2,1-2H3
InChIKeyQFXWGQJHJRQZSG-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.08
Rot. Bonds7

About ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate

ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate (PubChem CID 54226041) has the molecular formula C19H19ClO4 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate
PubChem CID54226041
Molecular FormulaC19H19ClO4
Molecular Weight346.81 g/mol
Exact Mass346.10
IUPAC Nameethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO4/c1-3-13-5-10-17(24-12-18(21)23-4-2)16(11-13)19(22)14-6-8-15(20)9-7-14/h5-11H,3-4,12H2,1-2H3
InChIKeyQFXWGQJHJRQZSG-UHFFFAOYSA-N
XLogP4.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-chloro-2-(3-fluorobenzoyl)phenoxy]acetate
CID 58962617
ethyl 2-[4-chloro-2-(3-cyano-5-methylbenzoyl)phenoxy]acetate
CID 23596859
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-dichlorophenoxy)acetate
CID 10780
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-[2-(4-tert-butylbenzoyl)-4-[4-(trifluoromethoxy)phenyl]phenoxy]acetate
CID 58007711
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 2-[4-[3,3-bis(4-chlorophenyl)prop-2-enylsulfanyl]-2-chlorophenoxy]acetate
CID 68575677
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate?
The IUPAC name of ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate (CID 54226041) is ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate is CCOC(=O)COc1ccc(CC)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate?
The InChIKey is QFXWGQJHJRQZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO4/c1-3-13-5-10-17(24-12-18(21)23-4-2)16(11-13)19(22)14-6-8-15(20)9-7-14/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate?
ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate has a molecular weight of 346.81 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorobenzoyl)-4-ethylphenoxy]acetate is sourced from PubChem (CID 54226041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).