acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate

C24H20O6 — CID 135058551

IUPACacetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate
SMILESCOc1ccc(C(=O)c2ccccc2)c(OC(C(=O)OC(C)=O)c2ccccc2)c1
InChIInChI=1S/C24H20O6/c1-16(25)29-24(27)23(18-11-7-4-8-12-18)30-21-15-19(28-2)13-14-20(21)22(26)17-9-5-3-6-10-17/h3-15,23H,1-2H3
InChIKeyFDFZXXMXEBQENU-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.14
Rot. Bonds7

About acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate

acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate (PubChem CID 135058551) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate.

Molecular Properties

Compound Nameacetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate
PubChem CID135058551
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Nameacetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate
SMILESCOc1ccc(C(=O)c2ccccc2)c(OC(C(=O)OC(C)=O)c2ccccc2)c1
InChIInChI=1S/C24H20O6/c1-16(25)29-24(27)23(18-11-7-4-8-12-18)30-21-15-19(28-2)13-14-20(21)22(26)17-9-5-3-6-10-17/h3-15,23H,1-2H3
InChIKeyFDFZXXMXEBQENU-UHFFFAOYSA-N
XLogP4.14
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
CID 175499515
CID 175499515
2-(2-benzoylphenoxy)-2-phenylacetic acid
CID 135075285
CID 172864174
CID 172864174
2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone
CID 162404401
(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
CID 104890975
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
CID 22935826
2-(3-benzoylphenyl)propanoic acid;(2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 118272160

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate?
The IUPAC name of acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate (CID 135058551) is acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate.
What is the SMILES notation for acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate?
The canonical SMILES for acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate is COc1ccc(C(=O)c2ccccc2)c(OC(C(=O)OC(C)=O)c2ccccc2)c1.
What is the InChIKey of acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate?
The InChIKey is FDFZXXMXEBQENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-16(25)29-24(27)23(18-11-7-4-8-12-18)30-21-15-19(28-2)13-14-20(21)22(26)17-9-5-3-6-10-17/h3-15,23H,1-2H3.
What are the key properties of acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate?
acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate has a molecular weight of 404.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate is sourced from PubChem (CID 135058551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).