2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene

C22H26 — CID 87673964

IUPAC2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
SMILESCCC(C)C1=Cc2c(cccc2-c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C22H26/c1-5-16(4)20-13-19-7-6-8-21(22(19)14-20)18-11-9-17(10-12-18)15(2)3/h6-12,14-16H,5,13H2,1-4H3
InChIKeySZYHRFPECLLWLE-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.46
Rot. Bonds4

About 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene

2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene (PubChem CID 87673964) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene.

Molecular Properties

Compound Name2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
PubChem CID87673964
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
SMILESCCC(C)C1=Cc2c(cccc2-c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C22H26/c1-5-16(4)20-13-19-7-6-8-21(22(19)14-20)18-11-9-17(10-12-18)15(2)3/h6-12,14-16H,5,13H2,1-4H3
InChIKeySZYHRFPECLLWLE-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-butan-2-ylphenyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563322
2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
CID 23105539
2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
CID 18420453
2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
CID 18420391
dichlorozirconium;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-indene
CID 174516204
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703689
1-[4-(2-propan-2-yl-1H-inden-4-yl)phenyl]adamantane
CID 87399692
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
2-butan-2-yl-5-methyl-4-phenyl-1H-indene
CID 87702536
4-ethyl-2-propan-2-yl-1H-indene
CID 87400054
bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane
CID 22994891
triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium
CID 173241812

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene?
The IUPAC name of 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene (CID 87673964) is 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene.
What is the SMILES notation for 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene?
The canonical SMILES for 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene is CCC(C)C1=Cc2c(cccc2-c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene?
The InChIKey is SZYHRFPECLLWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-5-16(4)20-13-19-7-6-8-21(22(19)14-20)18-11-9-17(10-12-18)15(2)3/h6-12,14-16H,5,13H2,1-4H3.
What are the key properties of 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene?
2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene has a molecular weight of 290.45 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene is sourced from PubChem (CID 87673964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).