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

C12H14O2 — CID 129405873

IUPAC[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCc2ccccc21
InChIInChI=1S/C12H14O2/c1-9(13)14-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyVAYKGAJKMOEXOC-NSHDSACASA-N
MW190.24 g/mol
LogP2.28
Rot. Bonds2

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

[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate (PubChem CID 129405873) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
PubChem CID129405873
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCc2ccccc21
InChIInChI=1S/C12H14O2/c1-9(13)14-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyVAYKGAJKMOEXOC-NSHDSACASA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
CID 163202613
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
1-ethyl-2,3-dihydro-1H-indene
CID 20971
4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide
CID 120592176
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
[(1S,2S)-1-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 168894723
2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide
CID 15744568
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate?
The IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate (CID 129405873) is [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate.
What is the SMILES notation for [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate?
The canonical SMILES for [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate is CC(=O)OC[C@@H]1CCc2ccccc21.
What is the InChIKey of [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate?
The InChIKey is VAYKGAJKMOEXOC-NSHDSACASA-N. The full InChI is InChI=1S/C12H14O2/c1-9(13)14-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,11H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of [(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate?
[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate has a molecular weight of 190.24 g/mol, XLogP of 2.28, 2 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]methyl acetate is sourced from PubChem (CID 129405873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).