4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene

C15H22O2S — CID 165347487

IUPAC4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene
SMILESCCOC(CSc1cccc2c1CCC2)OCC
InChIInChI=1S/C15H22O2S/c1-3-16-15(17-4-2)11-18-14-10-6-8-12-7-5-9-13(12)14/h6,8,10,15H,3-5,7,9,11H2,1-2H3
InChIKeyJSBNSNXSNQHAHU-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.67
Rot. Bonds7

About 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene

4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene (PubChem CID 165347487) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene
PubChem CID165347487
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene
SMILESCCOC(CSc1cccc2c1CCC2)OCC
InChIInChI=1S/C15H22O2S/c1-3-16-15(17-4-2)11-18-14-10-6-8-12-7-5-9-13(12)14/h6,8,10,15H,3-5,7,9,11H2,1-2H3
InChIKeyJSBNSNXSNQHAHU-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene 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 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene?
The IUPAC name of 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene (CID 165347487) is 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene is CCOC(CSc1cccc2c1CCC2)OCC.
What is the InChIKey of 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene?
The InChIKey is JSBNSNXSNQHAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-3-16-15(17-4-2)11-18-14-10-6-8-12-7-5-9-13(12)14/h6,8,10,15H,3-5,7,9,11H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene?
4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene has a molecular weight of 266.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethylsulfanyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 165347487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).