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

C11H12O2 — CID 11008452

IUPAC[(1R)-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H12O2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3/t11-/m1/s1
InChIKeyBZZWYQKRGRYJAX-LLVKDONJSA-N
MW176.22 g/mol
LogP2.24
Rot. Bonds1

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

[(1R)-2,3-dihydro-1H-inden-1-yl] acetate (PubChem CID 11008452) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is [(1R)-2,3-dihydro-1H-inden-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-2,3-dihydro-1H-inden-1-yl] acetate
PubChem CID11008452
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name[(1R)-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H12O2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3/t11-/m1/s1
InChIKeyBZZWYQKRGRYJAX-LLVKDONJSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl acetate
CID 8785
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
O-Methylbenzyl acetate
CID 87085
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
1-Phenylpropyl butyrate
CID 61447
1-Phenylpropyl acetate
CID 101134
1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
CID 95008
Benzenemethanol, alpha-ethenyl-, 1-acetate
CID 111277
Methoxyindane
CID 70506
Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
CID 76963

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl] acetate?
The IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl] acetate (CID 11008452) is [(1R)-2,3-dihydro-1H-inden-1-yl] acetate.
What is the SMILES notation for [(1R)-2,3-dihydro-1H-inden-1-yl] acetate?
The canonical SMILES for [(1R)-2,3-dihydro-1H-inden-1-yl] acetate is CC(=O)O[C@@H]1CCc2ccccc21.
What is the InChIKey of [(1R)-2,3-dihydro-1H-inden-1-yl] acetate?
The InChIKey is BZZWYQKRGRYJAX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(12)13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3/t11-/m1/s1.
What are the key properties of [(1R)-2,3-dihydro-1H-inden-1-yl] acetate?
[(1R)-2,3-dihydro-1H-inden-1-yl] acetate has a molecular weight of 176.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,3-dihydro-1H-inden-1-yl] acetate is sourced from PubChem (CID 11008452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).