2-(1-hydroxyinden-1-yl)ethyl acetate

C13H14O3 — CID 175294687

IUPAC2-(1-hydroxyinden-1-yl)ethyl acetate
SMILESCC(=O)OCCC1(O)C=Cc2ccccc21
InChIInChI=1S/C13H14O3/c1-10(14)16-9-8-13(15)7-6-11-4-2-3-5-12(11)13/h2-7,15H,8-9H2,1H3
InChIKeyNNUMPOUTXMQBTF-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.85
Rot. Bonds3

About 2-(1-hydroxyinden-1-yl)ethyl acetate

2-(1-hydroxyinden-1-yl)ethyl acetate (PubChem CID 175294687) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(1-hydroxyinden-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1-hydroxyinden-1-yl)ethyl acetate
PubChem CID175294687
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(1-hydroxyinden-1-yl)ethyl acetate
SMILESCC(=O)OCCC1(O)C=Cc2ccccc21
InChIInChI=1S/C13H14O3/c1-10(14)16-9-8-13(15)7-6-11-4-2-3-5-12(11)13/h2-7,15H,8-9H2,1H3
InChIKeyNNUMPOUTXMQBTF-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxyinden-1-yl)ethyl 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 2-(1-hydroxyinden-1-yl)ethyl acetate?
The IUPAC name of 2-(1-hydroxyinden-1-yl)ethyl acetate (CID 175294687) is 2-(1-hydroxyinden-1-yl)ethyl acetate.
What is the SMILES notation for 2-(1-hydroxyinden-1-yl)ethyl acetate?
The canonical SMILES for 2-(1-hydroxyinden-1-yl)ethyl acetate is CC(=O)OCCC1(O)C=Cc2ccccc21.
What is the InChIKey of 2-(1-hydroxyinden-1-yl)ethyl acetate?
The InChIKey is NNUMPOUTXMQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-10(14)16-9-8-13(15)7-6-11-4-2-3-5-12(11)13/h2-7,15H,8-9H2,1H3.
What are the key properties of 2-(1-hydroxyinden-1-yl)ethyl acetate?
2-(1-hydroxyinden-1-yl)ethyl acetate has a molecular weight of 218.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyinden-1-yl)ethyl acetate is sourced from PubChem (CID 175294687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).