3-[2-(3H-inden-1-yl)ethyl]-1H-indene

C20H18 — CID 3488033

IUPAC3-[2-(3H-inden-1-yl)ethyl]-1H-indene
SMILESC1=C(CCC2=CCc3ccccc32)c2ccccc2C1
InChIInChI=1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H2
InChIKeyCQAQBIQKEFJNRZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.05
Rot. Bonds3

About 3-[2-(3H-inden-1-yl)ethyl]-1H-indene

3-[2-(3H-inden-1-yl)ethyl]-1H-indene (PubChem CID 3488033) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[2-(3H-inden-1-yl)ethyl]-1H-indene.

Molecular Properties

Compound Name3-[2-(3H-inden-1-yl)ethyl]-1H-indene
PubChem CID3488033
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name3-[2-(3H-inden-1-yl)ethyl]-1H-indene
SMILESC1=C(CCC2=CCc3ccccc32)c2ccccc2C1
InChIInChI=1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H2
InChIKeyCQAQBIQKEFJNRZ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3H-inden-1-yl)ethyl]-1H-indene?
The IUPAC name of 3-[2-(3H-inden-1-yl)ethyl]-1H-indene (CID 3488033) is 3-[2-(3H-inden-1-yl)ethyl]-1H-indene.
What is the SMILES notation for 3-[2-(3H-inden-1-yl)ethyl]-1H-indene?
The canonical SMILES for 3-[2-(3H-inden-1-yl)ethyl]-1H-indene is C1=C(CCC2=CCc3ccccc32)c2ccccc2C1.
What is the InChIKey of 3-[2-(3H-inden-1-yl)ethyl]-1H-indene?
The InChIKey is CQAQBIQKEFJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H2.
What are the key properties of 3-[2-(3H-inden-1-yl)ethyl]-1H-indene?
3-[2-(3H-inden-1-yl)ethyl]-1H-indene has a molecular weight of 258.36 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3H-inden-1-yl)ethyl]-1H-indene is sourced from PubChem (CID 3488033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).