ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate

C19H18O6 — CID 118085162

IUPACethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)c2ccc(OCC=O)cc2)cc1
InChIInChI=1S/C19H18O6/c1-2-23-18(21)13-25-17-9-5-15(6-10-17)19(22)14-3-7-16(8-4-14)24-12-11-20/h3-11H,2,12-13H2,1H3
InChIKeyNHUQJVSQVNQMAA-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.44
Rot. Bonds9

About ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate

ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate (PubChem CID 118085162) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate
PubChem CID118085162
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Nameethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)c2ccc(OCC=O)cc2)cc1
InChIInChI=1S/C19H18O6/c1-2-23-18(21)13-25-17-9-5-15(6-10-17)19(22)14-3-7-16(8-4-14)24-12-11-20/h3-11H,2,12-13H2,1H3
InChIKeyNHUQJVSQVNQMAA-UHFFFAOYSA-N
XLogP2.44
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylphenoxy)acetaldehyde
CID 62028951
ethyl 2-[4-[(E)-4-amino-4-oxobut-2-en-2-yl]phenoxy]acetate
CID 142006795
4-(2-oxoethoxy)benzamide
CID 54336602
ethyl 2-[4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenoxy]acetate
CID 141454766
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 11727535
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273
ethyl 2-[[4-[[4-(2-ethoxy-2-oxoethoxy)phenyl]diazenyl]benzoyl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 15885003
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
propyl 2-(4-formylphenoxy)acetate
CID 17245126

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate (CID 118085162) is ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)c2ccc(OCC=O)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate?
The InChIKey is NHUQJVSQVNQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-2-23-18(21)13-25-17-9-5-15(6-10-17)19(22)14-3-7-16(8-4-14)24-12-11-20/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate?
ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate has a molecular weight of 342.35 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate is sourced from PubChem (CID 118085162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).