5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione

C10H8ClNO3 — CID 13321636

IUPAC5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Cl)cc2C(=O)N1CCO
InChIInChI=1S/C10H8ClNO3/c11-6-1-2-7-8(5-6)10(15)12(3-4-13)9(7)14/h1-2,5,13H,3-4H2
InChIKeyWGFBIMKHOTXNPG-UHFFFAOYSA-N
MW225.63 g/mol
LogP0.93
Rot. Bonds2

About 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione

5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione (PubChem CID 13321636) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
PubChem CID13321636
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Cl)cc2C(=O)N1CCO
InChIInChI=1S/C10H8ClNO3/c11-6-1-2-7-8(5-6)10(15)12(3-4-13)9(7)14/h1-2,5,13H,3-4H2
InChIKeyWGFBIMKHOTXNPG-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;2-(2-hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 159596878
benzene-1,3,5-triol;2-(2-hydroxyethyl)isoindole-1,3-dione
CID 139145891
2-(2-hydroxyethyl)-5-prop-1-ynylisoindole-1,3-dione
CID 67477607
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
CID 113202399
1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea
CID 113082293
3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082254
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]propane-1-sulfonamide
CID 113082296
5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 113201440
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202338
4-[3-(5-chloro-1,3-dioxoisoindol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 113202269

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
The IUPAC name of 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione (CID 13321636) is 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
The canonical SMILES for 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione is O=C1c2ccc(Cl)cc2C(=O)N1CCO.
What is the InChIKey of 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
The InChIKey is WGFBIMKHOTXNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-6-1-2-7-8(5-6)10(15)12(3-4-13)9(7)14/h1-2,5,13H,3-4H2.
What are the key properties of 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione?
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione has a molecular weight of 225.63 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 13321636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).