3-methoxyinden-1-one

C10H8O2 — CID 12666139

IUPAC3-methoxyinden-1-one
SMILESCOC1=CC(=O)c2ccccc21
InChIInChI=1S/C10H8O2/c1-12-10-6-9(11)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKeyLMCNBTGTQXMSHF-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.87
Rot. Bonds1

About 3-methoxyinden-1-one

3-methoxyinden-1-one (PubChem CID 12666139) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-methoxyinden-1-one.

Molecular Properties

Compound Name3-methoxyinden-1-one
PubChem CID12666139
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name3-methoxyinden-1-one
SMILESCOC1=CC(=O)c2ccccc21
InChIInChI=1S/C10H8O2/c1-12-10-6-9(11)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKeyLMCNBTGTQXMSHF-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxyinden-1-one 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-methoxyinden-1-one?
The IUPAC name of 3-methoxyinden-1-one (CID 12666139) is 3-methoxyinden-1-one.
What is the SMILES notation for 3-methoxyinden-1-one?
The canonical SMILES for 3-methoxyinden-1-one is COC1=CC(=O)c2ccccc21.
What is the InChIKey of 3-methoxyinden-1-one?
The InChIKey is LMCNBTGTQXMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-12-10-6-9(11)7-4-2-3-5-8(7)10/h2-6H,1H3.
What are the key properties of 3-methoxyinden-1-one?
3-methoxyinden-1-one has a molecular weight of 160.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyinden-1-one is sourced from PubChem (CID 12666139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).