methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate

C23H18O6 — CID 8001541

IUPACmethyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H18O6/c1-27-23(26)18-9-13-20(14-10-18)29-21(24)15-28-19-11-7-17(8-12-19)22(25)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyJWSJZGSPZUMODV-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.69
Rot. Bonds7

About methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate

methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate (PubChem CID 8001541) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
PubChem CID8001541
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Namemethyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H18O6/c1-27-23(26)18-9-13-20(14-10-18)29-21(24)15-28-19-11-7-17(8-12-19)22(25)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyJWSJZGSPZUMODV-UHFFFAOYSA-N
XLogP3.69
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.69
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-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
CID 23732050
methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
CID 2677908
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
(4-benzoylphenyl) 2-(4-nitrophenoxy)acetate
CID 1069094
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
(3,4-difluorophenyl) 2-(4-benzoylphenoxy)acetate
CID 8751820
methyl 4-[2-(2-cyanophenoxy)acetyl]oxybenzoate
CID 8961330
benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 19179593
methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate
CID 7751823
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate?
The IUPAC name of methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate (CID 8001541) is methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate?
The canonical SMILES for methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate is COC(=O)c1ccc(OC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate?
The InChIKey is JWSJZGSPZUMODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O6/c1-27-23(26)18-9-13-20(14-10-18)29-21(24)15-28-19-11-7-17(8-12-19)22(25)16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate?
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate has a molecular weight of 390.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 8001541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).