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

C11H12O3 — CID 19782175

IUPAC(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
SMILESCC(=O)OC1Cc2cccc(O)c2C1
InChIInChI=1S/C11H12O3/c1-7(12)14-9-5-8-3-2-4-11(13)10(8)6-9/h2-4,9,13H,5-6H2,1H3
InChIKeyCAZOXLJXXSFYKM-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.42
Rot. Bonds1

About (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate

(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate (PubChem CID 19782175) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate.

Molecular Properties

Compound Name(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
PubChem CID19782175
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate
SMILESCC(=O)OC1Cc2cccc(O)c2C1
InChIInChI=1S/C11H12O3/c1-7(12)14-9-5-8-3-2-4-11(13)10(8)6-9/h2-4,9,13H,5-6H2,1H3
InChIKeyCAZOXLJXXSFYKM-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate?
The IUPAC name of (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate (CID 19782175) is (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate.
What is the SMILES notation for (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate?
The canonical SMILES for (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate is CC(=O)OC1Cc2cccc(O)c2C1.
What is the InChIKey of (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate?
The InChIKey is CAZOXLJXXSFYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7(12)14-9-5-8-3-2-4-11(13)10(8)6-9/h2-4,9,13H,5-6H2,1H3.
What are the key properties of (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate?
(4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate has a molecular weight of 192.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,3-dihydro-1H-inden-2-yl) acetate is sourced from PubChem (CID 19782175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).