1-ethyl-4-(1H-inden-2-yl)naphthalene

C21H18 — CID 22347915

IUPAC1-ethyl-4-(1H-inden-2-yl)naphthalene
SMILESCCc1ccc(C2=Cc3ccccc3C2)c2ccccc12
InChIInChI=1S/C21H18/c1-2-15-11-12-20(21-10-6-5-9-19(15)21)18-13-16-7-3-4-8-17(16)14-18/h3-13H,2,14H2,1H3
InChIKeyKBFVPCOBEXXLBU-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.50
Rot. Bonds2

About 1-ethyl-4-(1H-inden-2-yl)naphthalene

1-ethyl-4-(1H-inden-2-yl)naphthalene (PubChem CID 22347915) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-ethyl-4-(1H-inden-2-yl)naphthalene.

Molecular Properties

Compound Name1-ethyl-4-(1H-inden-2-yl)naphthalene
PubChem CID22347915
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name1-ethyl-4-(1H-inden-2-yl)naphthalene
SMILESCCc1ccc(C2=Cc3ccccc3C2)c2ccccc12
InChIInChI=1S/C21H18/c1-2-15-11-12-20(21-10-6-5-9-19(15)21)18-13-16-7-3-4-8-17(16)14-18/h3-13H,2,14H2,1H3
InChIKeyKBFVPCOBEXXLBU-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-inden-2-yl)phenyl]benzaldehyde
CID 175687108
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58245995
2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene
CID 161212545
ethane;2-methyl-1H-indene
CID 54388135
3-(1H-inden-2-yl)-1H-inden-2-ol
CID 20693143
1,2-diethyl-9H-fluorene
CID 23440471
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
4H-benzo[f][1]benzofuran-2-one
CID 140992755
2-(1H-inden-2-yl)furan;zirconium
CID 174544021

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1H-inden-2-yl)naphthalene?
The IUPAC name of 1-ethyl-4-(1H-inden-2-yl)naphthalene (CID 22347915) is 1-ethyl-4-(1H-inden-2-yl)naphthalene.
What is the SMILES notation for 1-ethyl-4-(1H-inden-2-yl)naphthalene?
The canonical SMILES for 1-ethyl-4-(1H-inden-2-yl)naphthalene is CCc1ccc(C2=Cc3ccccc3C2)c2ccccc12.
What is the InChIKey of 1-ethyl-4-(1H-inden-2-yl)naphthalene?
The InChIKey is KBFVPCOBEXXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18/c1-2-15-11-12-20(21-10-6-5-9-19(15)21)18-13-16-7-3-4-8-17(16)14-18/h3-13H,2,14H2,1H3.
What are the key properties of 1-ethyl-4-(1H-inden-2-yl)naphthalene?
1-ethyl-4-(1H-inden-2-yl)naphthalene has a molecular weight of 270.38 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1H-inden-2-yl)naphthalene is sourced from PubChem (CID 22347915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).