(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate

C25H22O6 — CID 55327013

IUPAC(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O6/c1-17(26)20-13-14-21(22(15-20)29-2)30-16-23(27)31-25(19-11-7-4-8-12-19)24(28)18-9-5-3-6-10-18/h3-15,25H,16H2,1-2H3
InChIKeyHLZBJZRPCJZONV-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.44
Rot. Bonds9

About (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate

(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 55327013) has the molecular formula C25H22O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID55327013
Molecular FormulaC25H22O6
Molecular Weight418.45 g/mol
Exact Mass418.14
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O6/c1-17(26)20-13-14-21(22(15-20)29-2)30-16-23(27)31-25(19-11-7-4-8-12-19)24(28)18-9-5-3-6-10-18/h3-15,25H,16H2,1-2H3
InChIKeyHLZBJZRPCJZONV-UHFFFAOYSA-N
XLogP4.44
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7715221
(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
CID 2912459
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
CID 43822990
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526094
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55420482
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
CID 55643256
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902864
[(1S)-2-oxo-1,2-diphenylethyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186245

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 55327013) is (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1cc(C(C)=O)ccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is HLZBJZRPCJZONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O6/c1-17(26)20-13-14-21(22(15-20)29-2)30-16-23(27)31-25(19-11-7-4-8-12-19)24(28)18-9-5-3-6-10-18/h3-15,25H,16H2,1-2H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate?
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 418.45 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 55327013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).