2,3-dihydro-1H-inden-1-ylmethyl acetate

C12H14O2 — CID 22944175

IUPAC2,3-dihydro-1H-inden-1-ylmethyl acetate
SMILESCC(=O)OCC1CCc2ccccc21
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
InChIKeyVAYKGAJKMOEXOC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.28
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-ylmethyl acetate

2,3-dihydro-1H-inden-1-ylmethyl acetate (PubChem CID 22944175) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-ylmethyl acetate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-ylmethyl acetate
PubChem CID22944175
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2,3-dihydro-1H-inden-1-ylmethyl acetate
SMILESCC(=O)OCC1CCc2ccccc21
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
InChIKeyVAYKGAJKMOEXOC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-ylmethyl acetate?
The IUPAC name of 2,3-dihydro-1H-inden-1-ylmethyl acetate (CID 22944175) is 2,3-dihydro-1H-inden-1-ylmethyl acetate.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-ylmethyl acetate?
The canonical SMILES for 2,3-dihydro-1H-inden-1-ylmethyl acetate is CC(=O)OCC1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-ylmethyl acetate?
The InChIKey is VAYKGAJKMOEXOC-UHFFFAOYSA-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.
What are the key properties of 2,3-dihydro-1H-inden-1-ylmethyl acetate?
2,3-dihydro-1H-inden-1-ylmethyl 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 2,3-dihydro-1H-inden-1-ylmethyl acetate is sourced from PubChem (CID 22944175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).