(4-ethylphenyl) 2-(3-acetylphenoxy)acetate

C18H18O4 — CID 78769344

IUPAC(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
SMILESCCc1ccc(OC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H18O4/c1-3-14-7-9-16(10-8-14)22-18(20)12-21-17-6-4-5-15(11-17)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyXYGCCUHJBYMXKN-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.44
Rot. Bonds6

About (4-ethylphenyl) 2-(3-acetylphenoxy)acetate

(4-ethylphenyl) 2-(3-acetylphenoxy)acetate (PubChem CID 78769344) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4-ethylphenyl) 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
PubChem CID78769344
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
SMILESCCc1ccc(OC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H18O4/c1-3-14-7-9-16(10-8-14)22-18(20)12-21-17-6-4-5-15(11-17)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyXYGCCUHJBYMXKN-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
CID 2677908
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
(3-acetylphenyl) 2-(4-propoxyphenoxy)acetate
CID 86975480
(4-nitrophenyl) 2-(3-acetylphenoxy)acetate
CID 7937392
propan-2-yl 3-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 17162390
[4-(4-cyanophenyl)phenyl] 2-(3-acetylphenoxy)acetate
CID 7937393
(3-chlorophenyl) 2-(3-acetylphenoxy)acetate
CID 78777152
(3-formylphenyl) 2-(4-ethylphenoxy)acetate
CID 39199857
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(3-acetylphenoxy)acetate
CID 55827824
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 2-(3-ethylphenoxy)acetate
CID 39112770
(3-acetylphenyl) 2-(2,4,5-trichlorophenoxy)acetate
CID 7924233

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 2-(3-acetylphenoxy)acetate?
The IUPAC name of (4-ethylphenyl) 2-(3-acetylphenoxy)acetate (CID 78769344) is (4-ethylphenyl) 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for (4-ethylphenyl) 2-(3-acetylphenoxy)acetate?
The canonical SMILES for (4-ethylphenyl) 2-(3-acetylphenoxy)acetate is CCc1ccc(OC(=O)COc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of (4-ethylphenyl) 2-(3-acetylphenoxy)acetate?
The InChIKey is XYGCCUHJBYMXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-14-7-9-16(10-8-14)22-18(20)12-21-17-6-4-5-15(11-17)13(2)19/h4-11H,3,12H2,1-2H3.
What are the key properties of (4-ethylphenyl) 2-(3-acetylphenoxy)acetate?
(4-ethylphenyl) 2-(3-acetylphenoxy)acetate has a molecular weight of 298.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 78769344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).