2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione

C17H12ClNO3 — CID 71270644

IUPAC2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1c2ccc(Cl)cc2C[C@H]1O
InChIInChI=1S/C17H12ClNO3/c18-10-5-6-11-9(7-10)8-14(20)15(11)19-16(21)12-3-1-2-4-13(12)17(19)22/h1-7,14-15,20H,8H2/t14-,15-/m1/s1
InChIKeyDONITKQDVMKOGI-HUUCEWRRSA-N
MW313.74 g/mol
LogP2.59
Rot. Bonds1

About 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione

2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione (PubChem CID 71270644) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
PubChem CID71270644
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1c2ccc(Cl)cc2C[C@H]1O
InChIInChI=1S/C17H12ClNO3/c18-10-5-6-11-9(7-10)8-14(20)15(11)19-16(21)12-3-1-2-4-13(12)17(19)22/h1-7,14-15,20H,8H2/t14-,15-/m1/s1
InChIKeyDONITKQDVMKOGI-HUUCEWRRSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione (CID 71270644) is 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@H]1c2ccc(Cl)cc2C[C@H]1O.
What is the InChIKey of 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
The InChIKey is DONITKQDVMKOGI-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-10-5-6-11-9(7-10)8-14(20)15(11)19-16(21)12-3-1-2-4-13(12)17(19)22/h1-7,14-15,20H,8H2/t14-,15-/m1/s1.
What are the key properties of 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione?
2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione has a molecular weight of 313.74 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 71270644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).