2-[2-(3aH-inden-2-yl)ethyl]-5H-indene

C20H18 — CID 176529830

IUPAC2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
SMILESC1=CC2=CC(CCC3=CC4=CCC=CC4=C3)=CC2C=C1
InChIInChI=1S/C20H18/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-3,5-8,11-14,17H,4,9-10H2
InChIKeyVXIMDMLSSSAIAF-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.13
Rot. Bonds3

About 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene

2-[2-(3aH-inden-2-yl)ethyl]-5H-indene (PubChem CID 176529830) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene.

Molecular Properties

Compound Name2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
PubChem CID176529830
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
SMILESC1=CC2=CC(CCC3=CC4=CCC=CC4=C3)=CC2C=C1
InChIInChI=1S/C20H18/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-3,5-8,11-14,17H,4,9-10H2
InChIKeyVXIMDMLSSSAIAF-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3aH-indene
CID 23399067
2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
CID 173243357
3-(3aH-inden-2-ylmethyl)-1H-pyrrole
CID 140974375
2-(3-phenylprop-2-enyl)-3aH-indene
CID 154422820
1,2,6,9a-tetrahydroanthracene
CID 91360178
dimethyl-(2-methyl-3aH-inden-1-yl)-(2-methyl-6H-inden-1-yl)silane
CID 18717169
(10Z)-7-phenyl-4a,9-dihydrobenzo[8]annulene
CID 145331638
2-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene
CID 135850354
2-[4-[5-(3-cyclopentylpropyl)-3aH-inden-2-yl]but-1-en-2-yl]-4-methylidene-4aH-naphthalene
CID 170526583
ethyl 3aH-indene-2-carboxylate
CID 43811245
2-prop-1-en-2-yl-5H-indene
CID 135556108
2-(3aH-inden-2-yl)pyridine;ethane
CID 91435728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene?
The IUPAC name of 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene (CID 176529830) is 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene.
What is the SMILES notation for 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene?
The canonical SMILES for 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene is C1=CC2=CC(CCC3=CC4=CCC=CC4=C3)=CC2C=C1.
What is the InChIKey of 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene?
The InChIKey is VXIMDMLSSSAIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-3,5-8,11-14,17H,4,9-10H2.
What are the key properties of 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene?
2-[2-(3aH-inden-2-yl)ethyl]-5H-indene has a molecular weight of 258.36 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3aH-inden-2-yl)ethyl]-5H-indene is sourced from PubChem (CID 176529830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).