5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene

C20H22 — CID 87702809

IUPAC5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene
SMILESCCc1ccccc1-c1c(CC)ccc2c1C=C(C)C2
InChIInChI=1S/C20H22/c1-4-15-8-6-7-9-18(15)20-16(5-2)10-11-17-12-14(3)13-19(17)20/h6-11,13H,4-5,12H2,1-3H3
InChIKeyINBJOHQDKSMSON-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.44
Rot. Bonds3

About 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene

5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene (PubChem CID 87702809) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Name5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene
PubChem CID87702809
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene
SMILESCCc1ccccc1-c1c(CC)ccc2c1C=C(C)C2
InChIInChI=1S/C20H22/c1-4-15-8-6-7-9-18(15)20-16(5-2)10-11-17-12-14(3)13-19(17)20/h6-11,13H,4-5,12H2,1-3H3
InChIKeyINBJOHQDKSMSON-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
The IUPAC name of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene (CID 87702809) is 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene.
What is the SMILES notation for 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
The canonical SMILES for 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene is CCc1ccccc1-c1c(CC)ccc2c1C=C(C)C2.
What is the InChIKey of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
The InChIKey is INBJOHQDKSMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-4-15-8-6-7-9-18(15)20-16(5-2)10-11-17-12-14(3)13-19(17)20/h6-11,13H,4-5,12H2,1-3H3.
What are the key properties of 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene?
5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-ethylphenyl)-2-methyl-1H-indene is sourced from PubChem (CID 87702809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).