[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate

C30H21NO6 — CID 1298370

IUPAC[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
SMILESCOc1ccc(C(=O)[C@H](OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c2ccccc2)cc1
InChIInChI=1S/C30H21NO6/c1-36-23-16-14-19(15-17-23)26(32)27(20-8-3-2-4-9-20)37-30(35)21-10-7-11-22(18-21)31-28(33)24-12-5-6-13-25(24)29(31)34/h2-18,27H,1H3/t27-/m1/s1
InChIKeyQAYSKRUIVVWCHV-HHHXNRCGSA-N
MW491.50 g/mol
LogP5.28
Rot. Bonds7

About [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate

[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate (PubChem CID 1298370) has the molecular formula C30H21NO6 and a molecular weight of 491.50 g/mol. Its IUPAC name is [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate.

Molecular Properties

Compound Name[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
PubChem CID1298370
Molecular FormulaC30H21NO6
Molecular Weight491.50 g/mol
Exact Mass491.14
IUPAC Name[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
SMILESCOc1ccc(C(=O)[C@H](OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c2ccccc2)cc1
InChIInChI=1S/C30H21NO6/c1-36-23-16-14-19(15-17-23)26(32)27(20-8-3-2-4-9-20)37-30(35)21-10-7-11-22(18-21)31-28(33)24-12-5-6-13-25(24)29(31)34/h2-18,27H,1H3/t27-/m1/s1
InChIKeyQAYSKRUIVVWCHV-HHHXNRCGSA-N
XLogP5.28
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 1297274
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[3-[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126184956
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzoate
CID 126183257
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzoate
CID 126183259
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate
CID 126183804
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
[(1R)-2-oxo-1,2-diphenylethyl] 5-chloro-4-(1,3-dioxoisoindol-2-yl)-2-methoxybenzoate
CID 126181966
[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 3-[4-(4-chlorophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
CID 126185194
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate
CID 126183842
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 126182693
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate
CID 3345396

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate?
The IUPAC name of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate (CID 1298370) is [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate.
What is the SMILES notation for [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate?
The canonical SMILES for [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate is COc1ccc(C(=O)[C@H](OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate?
The InChIKey is QAYSKRUIVVWCHV-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H21NO6/c1-36-23-16-14-19(15-17-23)26(32)27(20-8-3-2-4-9-20)37-30(35)21-10-7-11-22(18-21)31-28(33)24-12-5-6-13-25(24)29(31)34/h2-18,27H,1H3/t27-/m1/s1.
What are the key properties of [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate?
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate has a molecular weight of 491.50 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate is sourced from PubChem (CID 1298370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).