1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene

C21H22 — CID 57180728

IUPAC1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene
SMILESCCC1C=C2CCCC(c3cccc4ccccc34)C2=C1
InChIInChI=1S/C21H22/c1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19/h3-5,7-8,10-11,13-15,20H,2,6,9,12H2,1H3
InChIKeyAXFYAGVMPLDCFT-UHFFFAOYSA-N
MW274.41 g/mol
LogP6.00
Rot. Bonds2

About 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene

1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene (PubChem CID 57180728) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene.

Molecular Properties

Compound Name1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene
PubChem CID57180728
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene
SMILESCCC1C=C2CCCC(c3cccc4ccccc34)C2=C1
InChIInChI=1S/C21H22/c1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19/h3-5,7-8,10-11,13-15,20H,2,6,9,12H2,1H3
InChIKeyAXFYAGVMPLDCFT-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-id-4-yl)naphthalene;zirconium(3+);dichloride
CID 159508374
azane;1-(4-ethylnaphthalen-1-yl)-1,2,3,4-tetrahydrochrysene;hydrochloride
CID 175285254
trimethyl-(3-naphthalen-1-ylcyclohexen-1-yl)oxysilane
CID 15366208
6-naphthalen-1-ylpiperidin-2-one
CID 18916072
4-(1,2,3,4-tetrahydrochrysen-1-yl)naphthalen-1-amine
CID 174447083
N-[(2-naphthalen-1-ylcyclohexyl)methyl]ethanamine
CID 81028125
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine
CID 59830952
2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene
CID 175734383
N-[(2-naphthalen-1-ylcyclopentyl)methyl]propan-1-amine
CID 81033533
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
3-naphthalen-1-yloxetan-2-one
CID 154509652

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene?
The IUPAC name of 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene (CID 57180728) is 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene.
What is the SMILES notation for 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene?
The canonical SMILES for 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene is CCC1C=C2CCCC(c3cccc4ccccc34)C2=C1.
What is the InChIKey of 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene?
The InChIKey is AXFYAGVMPLDCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19/h3-5,7-8,10-11,13-15,20H,2,6,9,12H2,1H3.
What are the key properties of 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene?
1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene has a molecular weight of 274.41 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)naphthalene is sourced from PubChem (CID 57180728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).