2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

C26H28O — CID 67328464

IUPAC2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(C(C)(C)C)cc3C)C2)o1
InChIInChI=1S/C26H28O/c1-16-7-9-19-14-20(24-12-8-18(3)27-24)15-23(19)25(16)22-11-10-21(13-17(22)2)26(4,5)6/h7-13,15H,14H2,1-6H3
InChIKeyOZRJAAIPTXPLCK-UHFFFAOYSA-N
MW356.51 g/mol
LogP7.27
Rot. Bonds2

About 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran

2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (PubChem CID 67328464) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
PubChem CID67328464
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran
SMILESCc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(C(C)(C)C)cc3C)C2)o1
InChIInChI=1S/C26H28O/c1-16-7-9-19-14-20(24-12-8-18(3)27-24)15-23(19)25(16)22-11-10-21(13-17(22)2)26(4,5)6/h7-13,15H,14H2,1-6H3
InChIKeyOZRJAAIPTXPLCK-UHFFFAOYSA-N
XLogP7.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The IUPAC name of 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran (CID 67328464) is 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran.
What is the SMILES notation for 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The canonical SMILES for 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(C(C)(C)C)cc3C)C2)o1.
What is the InChIKey of 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
The InChIKey is OZRJAAIPTXPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-16-7-9-19-14-20(24-12-8-18(3)27-24)15-23(19)25(16)22-11-10-21(13-17(22)2)26(4,5)6/h7-13,15H,14H2,1-6H3.
What are the key properties of 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran?
2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran has a molecular weight of 356.51 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-2-methylphenyl)-5-methyl-1H-inden-2-yl]-5-methylfuran is sourced from PubChem (CID 67328464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).