(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate

C23H20O5 — CID 23855920

IUPAC(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-26-19-13-18(14-20(15-19)27-2)23(25)28-22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-15,22H,1-2H3
InChIKeySBQUIURMBBKQDX-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.48
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate

(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate (PubChem CID 23855920) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
PubChem CID23855920
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-26-19-13-18(14-20(15-19)27-2)23(25)28-22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-15,22H,1-2H3
InChIKeySBQUIURMBBKQDX-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethyl] carbonate
CID 66645438
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2-oxo-1,2-diphenylethyl) 3,4-dihydroxybenzoate
CID 23738197
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 1298370
[(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9066974
[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethoxybenzoate
CID 2083766
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethoxybenzoate
CID 2083767
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate (CID 23855920) is (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate?
The InChIKey is SBQUIURMBBKQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-19-13-18(14-20(15-19)27-2)23(25)28-22(17-11-7-4-8-12-17)21(24)16-9-5-3-6-10-16/h3-15,22H,1-2H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate?
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate has a molecular weight of 376.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate is sourced from PubChem (CID 23855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).