[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate

C25H22O5 — CID 7079593

IUPAC[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
SMILESCOc1ccc(C(=O)[C@H](OC(=O)CCC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22O5/c1-29-21-14-12-19(13-15-21)24(28)25(20-10-6-3-7-11-20)30-23(27)17-16-22(26)18-8-4-2-5-9-18/h2-15,25H,16-17H2,1H3/t25-/m1/s1
InChIKeySHWSQOUBSYDQBC-RUZDIDTESA-N
MW402.45 g/mol
LogP4.83
Rot. Bonds9

About [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate

[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate (PubChem CID 7079593) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
PubChem CID7079593
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Name[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
SMILESCOc1ccc(C(=O)[C@H](OC(=O)CCC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22O5/c1-29-21-14-12-19(13-15-21)24(28)25(20-10-6-3-7-11-20)30-23(27)17-16-22(26)18-8-4-2-5-9-18/h2-15,25H,16-17H2,1H3/t25-/m1/s1
InChIKeySHWSQOUBSYDQBC-RUZDIDTESA-N
XLogP4.83
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
[(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 6-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]hexanoate
CID 98277469
[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate
CID 163632936
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
(2-oxo-1,2-diphenylethyl) 4-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-4-oxobutanoate
CID 5161036
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764456
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847704

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate?
The IUPAC name of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate (CID 7079593) is [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate.
What is the SMILES notation for [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate?
The canonical SMILES for [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate is COc1ccc(C(=O)[C@H](OC(=O)CCC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate?
The InChIKey is SHWSQOUBSYDQBC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22O5/c1-29-21-14-12-19(13-15-21)24(28)25(20-10-6-3-7-11-20)30-23(27)17-16-22(26)18-8-4-2-5-9-18/h2-15,25H,16-17H2,1H3/t25-/m1/s1.
What are the key properties of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate?
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate has a molecular weight of 402.45 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate is sourced from PubChem (CID 7079593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).