[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate

C11H11ClO2 — CID 12616569

IUPAC[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1c2ccccc2C[C@H]1Cl
InChIInChI=1S/C11H11ClO2/c1-7(13)14-11-9-5-3-2-4-8(9)6-10(11)12/h2-5,10-11H,6H2,1H3/t10-,11-/m1/s1
InChIKeyWZTHJSBIGZJUSI-GHMZBOCLSA-N
MW210.66 g/mol
LogP2.45
Rot. Bonds1

About [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate

[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate (PubChem CID 12616569) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
PubChem CID12616569
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1c2ccccc2C[C@H]1Cl
InChIInChI=1S/C11H11ClO2/c1-7(13)14-11-9-5-3-2-4-8(9)6-10(11)12/h2-5,10-11H,6H2,1H3/t10-,11-/m1/s1
InChIKeyWZTHJSBIGZJUSI-GHMZBOCLSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate?
The IUPAC name of [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate (CID 12616569) is [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate.
What is the SMILES notation for [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate?
The canonical SMILES for [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate is CC(=O)O[C@@H]1c2ccccc2C[C@H]1Cl.
What is the InChIKey of [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate?
The InChIKey is WZTHJSBIGZJUSI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7(13)14-11-9-5-3-2-4-8(9)6-10(11)12/h2-5,10-11H,6H2,1H3/t10-,11-/m1/s1.
What are the key properties of [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate?
[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate has a molecular weight of 210.66 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate is sourced from PubChem (CID 12616569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).