2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione

C16H13NO4 — CID 175182772

IUPAC2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCCc1ccccc1O
InChIInChI=1S/C16H13NO4/c18-14-8-4-1-5-11(14)9-10-21-17-15(19)12-6-2-3-7-13(12)16(17)20/h1-8,18H,9-10H2
InChIKeyIAZRUGRVMIUADU-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.16
Rot. Bonds4

About 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione

2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione (PubChem CID 175182772) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione
PubChem CID175182772
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCCc1ccccc1O
InChIInChI=1S/C16H13NO4/c18-14-8-4-1-5-11(14)9-10-21-17-15(19)12-6-2-3-7-13(12)16(17)20/h1-8,18H,9-10H2
InChIKeyIAZRUGRVMIUADU-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride
CID 158649274
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
2-[2-(2-bromoethoxy)ethoxy]isoindole-1,3-dione
CID 67469414
2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
CID 21239173
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
[amino-[2-(1,3-dioxoisoindol-2-yl)oxyethylsulfanyl]methylidene]azanium bromide
CID 21205590
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
CID 76853033
2-[2-(4-methylpyridin-1-ium-1-yl)ethoxy]isoindole-1,3-dione
CID 5163432
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
CID 59846673

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione (CID 175182772) is 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCCc1ccccc1O.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
The InChIKey is IAZRUGRVMIUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-14-8-4-1-5-11(14)9-10-21-17-15(19)12-6-2-3-7-13(12)16(17)20/h1-8,18H,9-10H2.
What are the key properties of 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione?
2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione has a molecular weight of 283.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 175182772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).