1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran

C27H24O — CID 87359042

IUPAC1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran
SMILESCc1cc(-c2c(C)ccc3c2C=C(c2occ4ccccc24)C3)cc(C)c1C
InChIInChI=1S/C27H24O/c1-16-9-10-20-13-23(27-24-8-6-5-7-21(24)15-28-27)14-25(20)26(16)22-11-17(2)19(4)18(3)12-22/h5-12,14-15H,13H2,1-4H3
InChIKeyWDZFNENZESRHCD-UHFFFAOYSA-N
MW364.49 g/mol
LogP7.43
Rot. Bonds2

About 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran

1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran (PubChem CID 87359042) has the molecular formula C27H24O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran.

Molecular Properties

Compound Name1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran
PubChem CID87359042
Molecular FormulaC27H24O
Molecular Weight364.49 g/mol
Exact Mass364.18
IUPAC Name1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran
SMILESCc1cc(-c2c(C)ccc3c2C=C(c2occ4ccccc24)C3)cc(C)c1C
InChIInChI=1S/C27H24O/c1-16-9-10-20-13-23(27-24-8-6-5-7-21(24)15-28-27)14-25(20)26(16)22-11-17(2)19(4)18(3)12-22/h5-12,14-15H,13H2,1-4H3
InChIKeyWDZFNENZESRHCD-UHFFFAOYSA-N
XLogP7.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran?
The IUPAC name of 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran (CID 87359042) is 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran.
What is the SMILES notation for 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran?
The canonical SMILES for 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran is Cc1cc(-c2c(C)ccc3c2C=C(c2occ4ccccc24)C3)cc(C)c1C.
What is the InChIKey of 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran?
The InChIKey is WDZFNENZESRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O/c1-16-9-10-20-13-23(27-24-8-6-5-7-21(24)15-28-27)14-25(20)26(16)22-11-17(2)19(4)18(3)12-22/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran?
1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran has a molecular weight of 364.49 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(3,4,5-trimethylphenyl)-1H-inden-2-yl]-2-benzofuran is sourced from PubChem (CID 87359042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).