6-tert-butyl-5-methyl-1-benzofuran

C13H16O — CID 155403484

IUPAC6-tert-butyl-5-methyl-1-benzofuran
SMILESCc1cc2ccoc2cc1C(C)(C)C
InChIInChI=1S/C13H16O/c1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4/h5-8H,1-4H3
InChIKeyLQJKNDDIVCKFCN-UHFFFAOYSA-N
MW188.27 g/mol
LogP4.04
Rot. Bonds

About 6-tert-butyl-5-methyl-1-benzofuran

6-tert-butyl-5-methyl-1-benzofuran (PubChem CID 155403484) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-tert-butyl-5-methyl-1-benzofuran.

Molecular Properties

Compound Name6-tert-butyl-5-methyl-1-benzofuran
PubChem CID155403484
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name6-tert-butyl-5-methyl-1-benzofuran
SMILESCc1cc2ccoc2cc1C(C)(C)C
InChIInChI=1S/C13H16O/c1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4/h5-8H,1-4H3
InChIKeyLQJKNDDIVCKFCN-UHFFFAOYSA-N
XLogP4.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-5-methyl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methyl-1-benzofuran?
The IUPAC name of 6-tert-butyl-5-methyl-1-benzofuran (CID 155403484) is 6-tert-butyl-5-methyl-1-benzofuran.
What is the SMILES notation for 6-tert-butyl-5-methyl-1-benzofuran?
The canonical SMILES for 6-tert-butyl-5-methyl-1-benzofuran is Cc1cc2ccoc2cc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-methyl-1-benzofuran?
The InChIKey is LQJKNDDIVCKFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4/h5-8H,1-4H3.
What are the key properties of 6-tert-butyl-5-methyl-1-benzofuran?
6-tert-butyl-5-methyl-1-benzofuran has a molecular weight of 188.27 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methyl-1-benzofuran is sourced from PubChem (CID 155403484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).