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

C19H18O6 — CID 7751823

IUPACmethyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate
SMILESCCC(=O)c1ccc(OCC(=O)Oc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H18O6/c1-3-17(20)13-7-9-15(10-8-13)24-12-18(21)25-16-6-4-5-14(11-16)19(22)23-2/h4-11H,3,12H2,1-2H3
InChIKeyOCXSSDJQYRSRCL-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.05
Rot. Bonds7

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

methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate (PubChem CID 7751823) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate
PubChem CID7751823
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Namemethyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate
SMILESCCC(=O)c1ccc(OCC(=O)Oc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H18O6/c1-3-17(20)13-7-9-15(10-8-13)24-12-18(21)25-16-6-4-5-14(11-16)19(22)23-2/h4-11H,3,12H2,1-2H3
InChIKeyOCXSSDJQYRSRCL-UHFFFAOYSA-N
XLogP3.05
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.05
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

(3-methylphenyl) 2-(4-propanoylphenoxy)acetate
CID 78776923
methyl 3-[2-(3,4-dimethylphenoxy)acetyl]oxybenzoate
CID 8840234
methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
CID 2677908
(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
CID 8758809
(4-propanoylphenyl) 2-(3-pentoxyphenoxy)acetate
CID 4733287
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
propan-2-yl 3-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 17162390
(3-acetylphenyl) 2-(4-propoxyphenoxy)acetate
CID 86975480
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
methyl 3-ethoxybenzoate
CID 3267781
methyl 3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7751819
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate?
The IUPAC name of methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate (CID 7751823) is methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate?
The canonical SMILES for methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate is CCC(=O)c1ccc(OCC(=O)Oc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate?
The InChIKey is OCXSSDJQYRSRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-3-17(20)13-7-9-15(10-8-13)24-12-18(21)25-16-6-4-5-14(11-16)19(22)23-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate?
methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate has a molecular weight of 342.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 7751823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).