1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene

C17H20 — CID 21095473

IUPAC1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCC1C(c2ccccc2)CC2C=CC=CC21
InChIInChI=1S/C17H20/c1-2-15-16-11-7-6-10-14(16)12-17(15)13-8-4-3-5-9-13/h3-11,14-17H,2,12H2,1H3
InChIKeyWBEHZBGGTQFNDO-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.56
Rot. Bonds2

About 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene

1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 21095473) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID21095473
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCC1C(c2ccccc2)CC2C=CC=CC21
InChIInChI=1S/C17H20/c1-2-15-16-11-7-6-10-14(16)12-17(15)13-8-4-3-5-9-13/h3-11,14-17H,2,12H2,1H3
InChIKeyWBEHZBGGTQFNDO-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-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 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene (CID 21095473) is 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene is CCC1C(c2ccccc2)CC2C=CC=CC21.
What is the InChIKey of 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is WBEHZBGGTQFNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-2-15-16-11-7-6-10-14(16)12-17(15)13-8-4-3-5-9-13/h3-11,14-17H,2,12H2,1H3.
What are the key properties of 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene?
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 224.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 21095473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).