1-ethyl-3-phenyl-1-propylindene

C20H22 — CID 176714898

IUPAC1-ethyl-3-phenyl-1-propylindene
SMILESCCCC1(CC)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H22/c1-3-14-20(4-2)15-18(16-10-6-5-7-11-16)17-12-8-9-13-19(17)20/h5-13,15H,3-4,14H2,1-2H3
InChIKeyIEILUDZWWRFVAL-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.58
Rot. Bonds4

About 1-ethyl-3-phenyl-1-propylindene

1-ethyl-3-phenyl-1-propylindene (PubChem CID 176714898) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-1-propylindene.

Molecular Properties

Compound Name1-ethyl-3-phenyl-1-propylindene
PubChem CID176714898
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-ethyl-3-phenyl-1-propylindene
SMILESCCCC1(CC)C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H22/c1-3-14-20(4-2)15-18(16-10-6-5-7-11-16)17-12-8-9-13-19(17)20/h5-13,15H,3-4,14H2,1-2H3
InChIKeyIEILUDZWWRFVAL-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-1-propylindene?
The IUPAC name of 1-ethyl-3-phenyl-1-propylindene (CID 176714898) is 1-ethyl-3-phenyl-1-propylindene.
What is the SMILES notation for 1-ethyl-3-phenyl-1-propylindene?
The canonical SMILES for 1-ethyl-3-phenyl-1-propylindene is CCCC1(CC)C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-phenyl-1-propylindene?
The InChIKey is IEILUDZWWRFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-3-14-20(4-2)15-18(16-10-6-5-7-11-16)17-12-8-9-13-19(17)20/h5-13,15H,3-4,14H2,1-2H3.
What are the key properties of 1-ethyl-3-phenyl-1-propylindene?
1-ethyl-3-phenyl-1-propylindene has a molecular weight of 262.40 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-1-propylindene is sourced from PubChem (CID 176714898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).