2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene

C23H28 — CID 87702973

IUPAC2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene
SMILESCc1ccc2c(c1-c1ccccc1C(C)C)C=C(C(C)(C)C)C2
InChIInChI=1S/C23H28/c1-15(2)19-9-7-8-10-20(19)22-16(3)11-12-17-13-18(14-21(17)22)23(4,5)6/h7-12,14-15H,13H2,1-6H3
InChIKeyJJYYZJGSMPLUAB-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.77
Rot. Bonds2

About 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene

2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene (PubChem CID 87702973) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene
PubChem CID87702973
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene
SMILESCc1ccc2c(c1-c1ccccc1C(C)C)C=C(C(C)(C)C)C2
InChIInChI=1S/C23H28/c1-15(2)19-9-7-8-10-20(19)22-16(3)11-12-17-13-18(14-21(17)22)23(4,5)6/h7-12,14-15H,13H2,1-6H3
InChIKeyJJYYZJGSMPLUAB-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-indene
CID 87702540
2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703147
2-butyl-5-propan-2-yl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703016
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703689
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
5-phenyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-indene
CID 87703779
4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene
CID 87703570
2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-indene
CID 87702838
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
CID 174063140
CID 174063140
2-[4-(2-chlorophenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
CID 87359046

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene?
The IUPAC name of 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene (CID 87702973) is 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene?
The canonical SMILES for 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene is Cc1ccc2c(c1-c1ccccc1C(C)C)C=C(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene?
The InChIKey is JJYYZJGSMPLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-15(2)19-9-7-8-10-20(19)22-16(3)11-12-17-13-18(14-21(17)22)23(4,5)6/h7-12,14-15H,13H2,1-6H3.
What are the key properties of 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene?
2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene has a molecular weight of 304.48 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-(2-propan-2-ylphenyl)-1H-indene is sourced from PubChem (CID 87702973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).