1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene

C22H20 — CID 57131873

IUPAC1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene
SMILESCCC1=Cc2cccc(-c3c(C)ccc4ccccc34)c2C1
InChIInChI=1S/C22H20/c1-3-16-13-18-8-6-10-20(21(18)14-16)22-15(2)11-12-17-7-4-5-9-19(17)22/h4-13H,3,14H2,1-2H3
InChIKeyVDROPEWUUUQHSC-UHFFFAOYSA-N
MW284.40 g/mol
LogP6.16
Rot. Bonds2

About 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene

1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene (PubChem CID 57131873) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene.

Molecular Properties

Compound Name1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene
PubChem CID57131873
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene
SMILESCCC1=Cc2cccc(-c3c(C)ccc4ccccc34)c2C1
InChIInChI=1S/C22H20/c1-3-16-13-18-8-6-10-20(21(18)14-16)22-15(2)11-12-17-7-4-5-9-19(17)22/h4-13H,3,14H2,1-2H3
InChIKeyVDROPEWUUUQHSC-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-3H-inden-4-yl)anthracene
CID 57323810
2-ethyl-7-(4-methylphenyl)-1H-indene
CID 57273568
2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
CID 172999052
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane
CID 53236008
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
2-(2-methylnaphthalen-1-yl)benzonitrile
CID 15858394
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene?
The IUPAC name of 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene (CID 57131873) is 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene.
What is the SMILES notation for 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene?
The canonical SMILES for 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene is CCC1=Cc2cccc(-c3c(C)ccc4ccccc34)c2C1.
What is the InChIKey of 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene?
The InChIKey is VDROPEWUUUQHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-3-16-13-18-8-6-10-20(21(18)14-16)22-15(2)11-12-17-7-4-5-9-19(17)22/h4-13H,3,14H2,1-2H3.
What are the key properties of 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene?
1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene has a molecular weight of 284.40 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene is sourced from PubChem (CID 57131873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).