4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione

C16H14N2O3 — CID 19363369

IUPAC4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(CCc1ccc(O)cc1)C2=O
InChIInChI=1S/C16H14N2O3/c17-13-3-1-2-12-14(13)16(21)18(15(12)20)9-8-10-4-6-11(19)7-5-10/h1-7,19H,8-9,17H2
InChIKeyBOZYBDXUAFGPEW-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione

4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (PubChem CID 19363369) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
PubChem CID19363369
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(CCc1ccc(O)cc1)C2=O
InChIInChI=1S/C16H14N2O3/c17-13-3-1-2-12-14(13)16(21)18(15(12)20)9-8-10-4-6-11(19)7-5-10/h1-7,19H,8-9,17H2
InChIKeyBOZYBDXUAFGPEW-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (CID 19363369) is 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is Nc1cccc2c1C(=O)N(CCc1ccc(O)cc1)C2=O.
What is the InChIKey of 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is BOZYBDXUAFGPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-13-3-1-2-12-14(13)16(21)18(15(12)20)9-8-10-4-6-11(19)7-5-10/h1-7,19H,8-9,17H2.
What are the key properties of 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 19363369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).