5-ethyl-4-phenyl-2-propyl-1H-indene

C20H22 — CID 87703151

IUPAC5-ethyl-4-phenyl-2-propyl-1H-indene
SMILESCCCC1=Cc2c(ccc(CC)c2-c2ccccc2)C1
InChIInChI=1S/C20H22/c1-3-8-15-13-18-12-11-16(4-2)20(19(18)14-15)17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyDAROKHSJDFTKFC-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.66
Rot. Bonds4

About 5-ethyl-4-phenyl-2-propyl-1H-indene

5-ethyl-4-phenyl-2-propyl-1H-indene (PubChem CID 87703151) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-4-phenyl-2-propyl-1H-indene.

Molecular Properties

Compound Name5-ethyl-4-phenyl-2-propyl-1H-indene
PubChem CID87703151
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name5-ethyl-4-phenyl-2-propyl-1H-indene
SMILESCCCC1=Cc2c(ccc(CC)c2-c2ccccc2)C1
InChIInChI=1S/C20H22/c1-3-8-15-13-18-12-11-16(4-2)20(19(18)14-15)17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyDAROKHSJDFTKFC-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-phenyl-2-propyl-1H-indene?
The IUPAC name of 5-ethyl-4-phenyl-2-propyl-1H-indene (CID 87703151) is 5-ethyl-4-phenyl-2-propyl-1H-indene.
What is the SMILES notation for 5-ethyl-4-phenyl-2-propyl-1H-indene?
The canonical SMILES for 5-ethyl-4-phenyl-2-propyl-1H-indene is CCCC1=Cc2c(ccc(CC)c2-c2ccccc2)C1.
What is the InChIKey of 5-ethyl-4-phenyl-2-propyl-1H-indene?
The InChIKey is DAROKHSJDFTKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-3-8-15-13-18-12-11-16(4-2)20(19(18)14-15)17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13H2,1-2H3.
What are the key properties of 5-ethyl-4-phenyl-2-propyl-1H-indene?
5-ethyl-4-phenyl-2-propyl-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-phenyl-2-propyl-1H-indene is sourced from PubChem (CID 87703151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).