2,5-diethyl-4-(2-methylphenyl)-1H-indene

C20H22 — CID 87702914

IUPAC2,5-diethyl-4-(2-methylphenyl)-1H-indene
SMILESCCC1=Cc2c(ccc(CC)c2-c2ccccc2C)C1
InChIInChI=1S/C20H22/c1-4-15-12-17-11-10-16(5-2)20(19(17)13-15)18-9-7-6-8-14(18)3/h6-11,13H,4-5,12H2,1-3H3
InChIKeyRMOPQKJGFQQVKI-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.57
Rot. Bonds3

About 2,5-diethyl-4-(2-methylphenyl)-1H-indene

2,5-diethyl-4-(2-methylphenyl)-1H-indene (PubChem CID 87702914) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,5-diethyl-4-(2-methylphenyl)-1H-indene.

Molecular Properties

Compound Name2,5-diethyl-4-(2-methylphenyl)-1H-indene
PubChem CID87702914
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name2,5-diethyl-4-(2-methylphenyl)-1H-indene
SMILESCCC1=Cc2c(ccc(CC)c2-c2ccccc2C)C1
InChIInChI=1S/C20H22/c1-4-15-12-17-11-10-16(5-2)20(19(17)13-15)18-9-7-6-8-14(18)3/h6-11,13H,4-5,12H2,1-3H3
InChIKeyRMOPQKJGFQQVKI-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-(2-methylphenyl)-1H-indene?
The IUPAC name of 2,5-diethyl-4-(2-methylphenyl)-1H-indene (CID 87702914) is 2,5-diethyl-4-(2-methylphenyl)-1H-indene.
What is the SMILES notation for 2,5-diethyl-4-(2-methylphenyl)-1H-indene?
The canonical SMILES for 2,5-diethyl-4-(2-methylphenyl)-1H-indene is CCC1=Cc2c(ccc(CC)c2-c2ccccc2C)C1.
What is the InChIKey of 2,5-diethyl-4-(2-methylphenyl)-1H-indene?
The InChIKey is RMOPQKJGFQQVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-4-15-12-17-11-10-16(5-2)20(19(17)13-15)18-9-7-6-8-14(18)3/h6-11,13H,4-5,12H2,1-3H3.
What are the key properties of 2,5-diethyl-4-(2-methylphenyl)-1H-indene?
2,5-diethyl-4-(2-methylphenyl)-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-(2-methylphenyl)-1H-indene is sourced from PubChem (CID 87702914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).