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

C12H14O2 — CID 73154259

IUPAC(3-methyl-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CC(C)c2ccccc21
InChIInChI=1S/C12H14O2/c1-8-7-12(14-9(2)13)11-6-4-3-5-10(8)11/h3-6,8,12H,7H2,1-2H3
InChIKeySEWRWZMHXIIQBA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.80
Rot. Bonds1

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

(3-methyl-2,3-dihydro-1H-inden-1-yl) acetate (PubChem CID 73154259) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate.

Molecular Properties

Compound Name(3-methyl-2,3-dihydro-1H-inden-1-yl) acetate
PubChem CID73154259
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3-methyl-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CC(C)c2ccccc21
InChIInChI=1S/C12H14O2/c1-8-7-12(14-9(2)13)11-6-4-3-5-10(8)11/h3-6,8,12H,7H2,1-2H3
InChIKeySEWRWZMHXIIQBA-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
The IUPAC name of (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate (CID 73154259) is (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate.
What is the SMILES notation for (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
The canonical SMILES for (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate is CC(=O)OC1CC(C)c2ccccc21.
What is the InChIKey of (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
The InChIKey is SEWRWZMHXIIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-7-12(14-9(2)13)11-6-4-3-5-10(8)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
(3-methyl-2,3-dihydro-1H-inden-1-yl) acetate has a molecular weight of 190.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydro-1H-inden-1-yl) acetate is sourced from PubChem (CID 73154259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).