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

C11H12O3 — CID 19864735

IUPAC(3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate
SMILESCC(=O)Oc1cccc2c1C(O)CC2
InChIInChI=1S/C11H12O3/c1-7(12)14-10-4-2-3-8-5-6-9(13)11(8)10/h2-4,9,13H,5-6H2,1H3
InChIKeyQJLXVLCTARBRAF-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.59
Rot. Bonds1

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

(3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate (PubChem CID 19864735) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate.

Molecular Properties

Compound Name(3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate
PubChem CID19864735
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate
SMILESCC(=O)Oc1cccc2c1C(O)CC2
InChIInChI=1S/C11H12O3/c1-7(12)14-10-4-2-3-8-5-6-9(13)11(8)10/h2-4,9,13H,5-6H2,1H3
InChIKeyQJLXVLCTARBRAF-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate?
The IUPAC name of (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate (CID 19864735) is (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate.
What is the SMILES notation for (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate?
The canonical SMILES for (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate is CC(=O)Oc1cccc2c1C(O)CC2.
What is the InChIKey of (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate?
The InChIKey is QJLXVLCTARBRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7(12)14-10-4-2-3-8-5-6-9(13)11(8)10/h2-4,9,13H,5-6H2,1H3.
What are the key properties of (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate?
(3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate has a molecular weight of 192.21 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate is sourced from PubChem (CID 19864735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).