5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran

C26H28O — CID 70999488

IUPAC5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran
SMILESCCc1cc(-c2c(Cc3ccccc3)cc(C)c3c2CCO3)c(C)cc1C
InChIInChI=1S/C26H28O/c1-5-21-16-24(18(3)13-17(21)2)25-22(15-20-9-7-6-8-10-20)14-19(4)26-23(25)11-12-27-26/h6-10,13-14,16H,5,11-12,15H2,1-4H3
InChIKeyAETQMAABTPCLFS-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.37
Rot. Bonds4

About 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran

5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran (PubChem CID 70999488) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran
PubChem CID70999488
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran
SMILESCCc1cc(-c2c(Cc3ccccc3)cc(C)c3c2CCO3)c(C)cc1C
InChIInChI=1S/C26H28O/c1-5-21-16-24(18(3)13-17(21)2)25-22(15-20-9-7-6-8-10-20)14-19(4)26-23(25)11-12-27-26/h6-10,13-14,16H,5,11-12,15H2,1-4H3
InChIKeyAETQMAABTPCLFS-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran (CID 70999488) is 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran is CCc1cc(-c2c(Cc3ccccc3)cc(C)c3c2CCO3)c(C)cc1C.
What is the InChIKey of 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is AETQMAABTPCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-5-21-16-24(18(3)13-17(21)2)25-22(15-20-9-7-6-8-10-20)14-19(4)26-23(25)11-12-27-26/h6-10,13-14,16H,5,11-12,15H2,1-4H3.
What are the key properties of 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran?
5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 356.51 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(5-ethyl-2,4-dimethylphenyl)-7-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 70999488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).