(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate

C12H14O3 — CID 174515763

IUPAC(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2cc(O)c(C)cc21
InChIInChI=1S/C12H14O3/c1-7-5-10-9(6-11(7)14)3-4-12(10)15-8(2)13/h5-6,12,14H,3-4H2,1-2H3
InChIKeyRXRUSCFKOSUVOB-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.25
Rot. Bonds1

About (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate

(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate (PubChem CID 174515763) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate.

Molecular Properties

Compound Name(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
PubChem CID174515763
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2cc(O)c(C)cc21
InChIInChI=1S/C12H14O3/c1-7-5-10-9(6-11(7)14)3-4-12(10)15-8(2)13/h5-6,12,14H,3-4H2,1-2H3
InChIKeyRXRUSCFKOSUVOB-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
The IUPAC name of (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate (CID 174515763) is (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate.
What is the SMILES notation for (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
The canonical SMILES for (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate is CC(=O)OC1CCc2cc(O)c(C)cc21.
What is the InChIKey of (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
The InChIKey is RXRUSCFKOSUVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-5-10-9(6-11(7)14)3-4-12(10)15-8(2)13/h5-6,12,14H,3-4H2,1-2H3.
What are the key properties of (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate?
(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate has a molecular weight of 206.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate is sourced from PubChem (CID 174515763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).