2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione

C23H17NO4 — CID 129076171

IUPAC2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H17NO4/c25-20(14-24-22(26)17-10-4-5-11-18(17)23(24)27)19-12-6-7-13-21(19)28-15-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyFAMBAQPYTABKKX-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.74
Rot. Bonds6

About 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione

2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione (PubChem CID 129076171) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione
PubChem CID129076171
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H17NO4/c25-20(14-24-22(26)17-10-4-5-11-18(17)23(24)27)19-12-6-7-13-21(19)28-15-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyFAMBAQPYTABKKX-UHFFFAOYSA-N
XLogP3.74
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2-phenylmethoxybenzoyl chloride
CID 10999355
phenacyl 2-phenylmethoxybenzoate
CID 2565163
2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione
CID 53403480
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 2555543
N-(1-adamantylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylmethoxyphenyl)acetamide
CID 10744876
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione (CID 129076171) is 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is FAMBAQPYTABKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-20(14-24-22(26)17-10-4-5-11-18(17)23(24)27)19-12-6-7-13-21(19)28-15-16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione?
2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 371.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 129076171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).