methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate

C18H16O6 — CID 2677908

IUPACmethyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H16O6/c1-12(19)14-4-3-5-16(10-14)23-11-17(20)24-15-8-6-13(7-9-15)18(21)22-2/h3-10H,11H2,1-2H3
InChIKeyHKBCPQXTYOZCBS-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.66
Rot. Bonds6

About methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate

methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate (PubChem CID 2677908) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
PubChem CID2677908
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Namemethyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H16O6/c1-12(19)14-4-3-5-16(10-14)23-11-17(20)24-15-8-6-13(7-9-15)18(21)22-2/h3-10H,11H2,1-2H3
InChIKeyHKBCPQXTYOZCBS-UHFFFAOYSA-N
XLogP2.66
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
CID 78769344
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
methyl 3-[2-(3,4-dimethylphenoxy)acetyl]oxybenzoate
CID 8840234
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
(4-nitrophenyl) 2-(3-acetylphenoxy)acetate
CID 7937392
methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate
CID 7751823
[4-(4-cyanophenyl)phenyl] 2-(3-acetylphenoxy)acetate
CID 7937393
(3-chlorophenyl) 2-(3-acetylphenoxy)acetate
CID 78777152
(3-acetylphenyl) 2-(4-propoxyphenoxy)acetate
CID 86975480
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(3-acetylphenoxy)acetate
CID 55827824
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869
methyl 4-[2-(2-cyanophenoxy)acetyl]oxybenzoate
CID 8961330

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate?
The IUPAC name of methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate (CID 2677908) is methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate?
The canonical SMILES for methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate is COC(=O)c1ccc(OC(=O)COc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate?
The InChIKey is HKBCPQXTYOZCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-12(19)14-4-3-5-16(10-14)23-11-17(20)24-15-8-6-13(7-9-15)18(21)22-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate?
methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate has a molecular weight of 328.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 2677908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).