(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate

C23H20O5 — CID 126184010

IUPAC(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
SMILESCOc1ccccc1OCc1ccc(C(=O)Oc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C23H20O5/c1-16(24)19-6-5-7-20(14-19)28-23(25)18-12-10-17(11-13-18)15-27-22-9-4-3-8-21(22)26-2/h3-14H,15H2,1-2H3
InChIKeyCKOZIJZCIMIJLA-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.70
Rot. Bonds7

About (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate

(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate (PubChem CID 126184010) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate.

Molecular Properties

Compound Name(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
PubChem CID126184010
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
SMILESCOc1ccccc1OCc1ccc(C(=O)Oc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C23H20O5/c1-16(24)19-6-5-7-20(14-19)28-23(25)18-12-10-17(11-13-18)15-27-22-9-4-3-8-21(22)26-2/h3-14H,15H2,1-2H3
InChIKeyCKOZIJZCIMIJLA-UHFFFAOYSA-N
XLogP4.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-acetylphenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 126187584
(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
(4-cyclohexylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126185466
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152
[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
CID 51055617
(3-acetamidophenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 3985890
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
[(1S)-2-oxo-1,2-diphenylethyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186245
(3-acetylphenyl) 4-methoxy-3-nitrobenzoate
CID 7924231

Frequently Asked Questions

What is the IUPAC name of (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate?
The IUPAC name of (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate (CID 126184010) is (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate.
What is the SMILES notation for (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate?
The canonical SMILES for (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate is COc1ccccc1OCc1ccc(C(=O)Oc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate?
The InChIKey is CKOZIJZCIMIJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-16(24)19-6-5-7-20(14-19)28-23(25)18-12-10-17(11-13-18)15-27-22-9-4-3-8-21(22)26-2/h3-14H,15H2,1-2H3.
What are the key properties of (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate?
(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate has a molecular weight of 376.41 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate is sourced from PubChem (CID 126184010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).