6-[2-(3H-inden-5-yl)ethyl]-1H-indene

C20H18 — CID 142633799

IUPAC6-[2-(3H-inden-5-yl)ethyl]-1H-indene
SMILESC1=Cc2ccc(CCc3ccc4c(c3)CC=C4)cc2C1
InChIInChI=1S/C20H18/c1-3-17-11-9-15(13-19(17)5-1)7-8-16-10-12-18-4-2-6-20(18)14-16/h1-4,9-14H,5-8H2
InChIKeyNTHINIRIFBJBAV-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.61
Rot. Bonds3

About 6-[2-(3H-inden-5-yl)ethyl]-1H-indene

6-[2-(3H-inden-5-yl)ethyl]-1H-indene (PubChem CID 142633799) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-[2-(3H-inden-5-yl)ethyl]-1H-indene.

Molecular Properties

Compound Name6-[2-(3H-inden-5-yl)ethyl]-1H-indene
PubChem CID142633799
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name6-[2-(3H-inden-5-yl)ethyl]-1H-indene
SMILESC1=Cc2ccc(CCc3ccc4c(c3)CC=C4)cc2C1
InChIInChI=1S/C20H18/c1-3-17-11-9-15(13-19(17)5-1)7-8-16-10-12-18-4-2-6-20(18)14-16/h1-4,9-14H,5-8H2
InChIKeyNTHINIRIFBJBAV-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3H-inden-5-ylmethanamine
CID 18726918
N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine
CID 155884374
3H-inden-5-ol
CID 21274580
pentafluoro(3H-inden-5-yl)-λ6-sulfane
CID 87609091
tert-butyl 2-(3H-inden-5-yl)acetate
CID 158672073
ethane;3H-inden-5-ol;propane
CID 91292359
6-methoxy-1H-indene
CID 22155588
6-ethynyl-1H-indene
CID 151725384
3H-indene-5-carbonitrile
CID 141156739
6-propoxy-1H-indene
CID 19751756
5-octadecyl-1H-indene
CID 90751202
3H-indene-5-carbothioamide
CID 158848191

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3H-inden-5-yl)ethyl]-1H-indene?
The IUPAC name of 6-[2-(3H-inden-5-yl)ethyl]-1H-indene (CID 142633799) is 6-[2-(3H-inden-5-yl)ethyl]-1H-indene.
What is the SMILES notation for 6-[2-(3H-inden-5-yl)ethyl]-1H-indene?
The canonical SMILES for 6-[2-(3H-inden-5-yl)ethyl]-1H-indene is C1=Cc2ccc(CCc3ccc4c(c3)CC=C4)cc2C1.
What is the InChIKey of 6-[2-(3H-inden-5-yl)ethyl]-1H-indene?
The InChIKey is NTHINIRIFBJBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-3-17-11-9-15(13-19(17)5-1)7-8-16-10-12-18-4-2-6-20(18)14-16/h1-4,9-14H,5-8H2.
What are the key properties of 6-[2-(3H-inden-5-yl)ethyl]-1H-indene?
6-[2-(3H-inden-5-yl)ethyl]-1H-indene has a molecular weight of 258.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3H-inden-5-yl)ethyl]-1H-indene is sourced from PubChem (CID 142633799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).