2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione

C16H14N2O3 — CID 43461566

IUPAC2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
SMILESNc1ccc(C(O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H14N2O3/c17-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,14,19H,9,17H2
InChIKeyQFZDIRJVQXOOHK-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.60
Rot. Bonds3

About 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione

2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione (PubChem CID 43461566) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
PubChem CID43461566
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
SMILESNc1ccc(C(O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H14N2O3/c17-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,14,19H,9,17H2
InChIKeyQFZDIRJVQXOOHK-UHFFFAOYSA-N
XLogP1.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 14536961
ethyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)-1-hydroxyethyl]phenoxy]acetate
CID 14536972
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
2-[(2S,3S)-2-hydroxy-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 139039322
2-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 91136158
2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione
CID 118917491
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione
CID 61207152

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione (CID 43461566) is 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione is Nc1ccc(C(O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The InChIKey is QFZDIRJVQXOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-11-7-5-10(6-8-11)14(19)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,14,19H,9,17H2.
What are the key properties of 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione is sourced from PubChem (CID 43461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).