ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene

C23H32 — CID 91257944

IUPACethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene
SMILESC=Cc1ccc(C2=CC3=C(C=C(CC)CC3)C2)cc1.CC.CC
InChIInChI=1S/C19H20.2C2H6/c1-3-14-5-8-16(9-6-14)19-12-17-10-7-15(4-2)11-18(17)13-19;2*1-2/h3,5-6,8-9,11-12H,1,4,7,10,13H2,2H3;2*1-2H3
InChIKeyAIVKMKGDWSLWLW-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.60
Rot. Bonds3

About ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene

ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene (PubChem CID 91257944) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene.

Molecular Properties

Compound Nameethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene
PubChem CID91257944
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Nameethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene
SMILESC=Cc1ccc(C2=CC3=C(C=C(CC)CC3)C2)cc1.CC.CC
InChIInChI=1S/C19H20.2C2H6/c1-3-14-5-8-16(9-6-14)19-12-17-10-7-15(4-2)11-18(17)13-19;2*1-2/h3,5-6,8-9,11-12H,1,4,7,10,13H2,2H3;2*1-2H3
InChIKeyAIVKMKGDWSLWLW-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene?
The IUPAC name of ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene (CID 91257944) is ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene.
What is the SMILES notation for ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene?
The canonical SMILES for ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene is C=Cc1ccc(C2=CC3=C(C=C(CC)CC3)C2)cc1.CC.CC.
What is the InChIKey of ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene?
The InChIKey is AIVKMKGDWSLWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20.2C2H6/c1-3-14-5-8-16(9-6-14)19-12-17-10-7-15(4-2)11-18(17)13-19;2*1-2/h3,5-6,8-9,11-12H,1,4,7,10,13H2,2H3;2*1-2H3.
What are the key properties of ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene?
ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene has a molecular weight of 308.51 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethenylphenyl)-6-ethyl-4,5-dihydro-1H-indene is sourced from PubChem (CID 91257944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).