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

C20H18 — CID 173243357

IUPAC2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
SMILESC1=CC2=CC(CCC3=Cc4ccccc4C3)=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/h1-8,11-13,17H,9-10,14H2
InChIKeyUGRFSTCSSFWMJL-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.01
Rot. Bonds3

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

2-[2-(3aH-inden-2-yl)ethyl]-1H-indene (PubChem CID 173243357) 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]-1H-indene.

Molecular Properties

Compound Name2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
PubChem CID173243357
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name2-[2-(3aH-inden-2-yl)ethyl]-1H-indene
SMILESC1=CC2=CC(CCC3=Cc4ccccc4C3)=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/h1-8,11-13,17H,9-10,14H2
InChIKeyUGRFSTCSSFWMJL-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene
CID 173161752
2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene;hafnium;dichloride
CID 173244135
2-(3-phenylprop-2-enyl)-3aH-indene
CID 154422820
2-ethyl-3aH-indene
CID 23399067
2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
CID 176529830
1-[2-(1H-inden-2-yl)ethyl]-1H-indene
CID 10912206
1-(1H-inden-2-ylmethyl)-1H-indene
CID 87862084
2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
CID 22726390
3-(3aH-inden-2-ylmethyl)-1H-pyrrole
CID 140974375
4-methylbenzoic acid;2-[2-(2-methylphenyl)ethyl]-1H-indene
CID 144517127
1-(1H-inden-2-yl)-N-methylmethanamine
CID 22593771
1-(1H-inden-2-yl)-1,3a-dihydroazulene
CID 173121614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3aH-inden-2-yl)ethyl]-1H-indene?
The IUPAC name of 2-[2-(3aH-inden-2-yl)ethyl]-1H-indene (CID 173243357) is 2-[2-(3aH-inden-2-yl)ethyl]-1H-indene.
What is the SMILES notation for 2-[2-(3aH-inden-2-yl)ethyl]-1H-indene?
The canonical SMILES for 2-[2-(3aH-inden-2-yl)ethyl]-1H-indene is C1=CC2=CC(CCC3=Cc4ccccc4C3)=CC2C=C1.
What is the InChIKey of 2-[2-(3aH-inden-2-yl)ethyl]-1H-indene?
The InChIKey is UGRFSTCSSFWMJL-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/h1-8,11-13,17H,9-10,14H2.
What are the key properties of 2-[2-(3aH-inden-2-yl)ethyl]-1H-indene?
2-[2-(3aH-inden-2-yl)ethyl]-1H-indene has a molecular weight of 258.36 g/mol, XLogP of 5.01, 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]-1H-indene is sourced from PubChem (CID 173243357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).