4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene

C20H22 — CID 87984166

IUPAC4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
SMILESCCC1=Cc2c(-c3ccc(C)c(C)c3)ccc(C)c2C1
InChIInChI=1S/C20H22/c1-5-16-11-19-14(3)7-9-18(20(19)12-16)17-8-6-13(2)15(4)10-17/h6-10,12H,5,11H2,1-4H3
InChIKeyIEIJYXUDAYBMQN-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.63
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene

4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene (PubChem CID 87984166) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
PubChem CID87984166
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
SMILESCCC1=Cc2c(-c3ccc(C)c(C)c3)ccc(C)c2C1
InChIInChI=1S/C20H22/c1-5-16-11-19-14(3)7-9-18(20(19)12-16)17-8-6-13(2)15(4)10-17/h6-10,12H,5,11H2,1-4H3
InChIKeyIEIJYXUDAYBMQN-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
dichlorozirconium;2-ethyl-4,7-dimethyl-1H-indene
CID 174363313
2-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010
2-(cyclohexylmethyl)-7-methyl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87476067
2-butyl-4,7-bis(3,5-dimethylphenyl)-1H-indene
CID 87142110
2-ethyl-4,5,6,7-tetramethyl-1H-indene
CID 22463170
1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
2-ethyl-7-(4-methylphenyl)-1H-indene
CID 57273568
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
CID 173016294
(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane
CID 21096605

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene (CID 87984166) is 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene is CCC1=Cc2c(-c3ccc(C)c(C)c3)ccc(C)c2C1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene?
The InChIKey is IEIJYXUDAYBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-5-16-11-19-14(3)7-9-18(20(19)12-16)17-8-6-13(2)15(4)10-17/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene?
4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene is sourced from PubChem (CID 87984166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).