2-tert-butyl-3,6-dimethyl-1-benzofuran

C14H18O — CID 164777392

IUPAC2-tert-butyl-3,6-dimethyl-1-benzofuran
SMILESCc1ccc2c(C)c(C(C)(C)C)oc2c1
InChIInChI=1S/C14H18O/c1-9-6-7-11-10(2)13(14(3,4)5)15-12(11)8-9/h6-8H,1-5H3
InChIKeyUVGNZFSXWCTNDX-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.35
Rot. Bonds

About 2-tert-butyl-3,6-dimethyl-1-benzofuran

2-tert-butyl-3,6-dimethyl-1-benzofuran (PubChem CID 164777392) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-tert-butyl-3,6-dimethyl-1-benzofuran.

Molecular Properties

Compound Name2-tert-butyl-3,6-dimethyl-1-benzofuran
PubChem CID164777392
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-tert-butyl-3,6-dimethyl-1-benzofuran
SMILESCc1ccc2c(C)c(C(C)(C)C)oc2c1
InChIInChI=1S/C14H18O/c1-9-6-7-11-10(2)13(14(3,4)5)15-12(11)8-9/h6-8H,1-5H3
InChIKeyUVGNZFSXWCTNDX-UHFFFAOYSA-N
XLogP4.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,6-dimethyl-1-benzofuran?
The IUPAC name of 2-tert-butyl-3,6-dimethyl-1-benzofuran (CID 164777392) is 2-tert-butyl-3,6-dimethyl-1-benzofuran.
What is the SMILES notation for 2-tert-butyl-3,6-dimethyl-1-benzofuran?
The canonical SMILES for 2-tert-butyl-3,6-dimethyl-1-benzofuran is Cc1ccc2c(C)c(C(C)(C)C)oc2c1.
What is the InChIKey of 2-tert-butyl-3,6-dimethyl-1-benzofuran?
The InChIKey is UVGNZFSXWCTNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9-6-7-11-10(2)13(14(3,4)5)15-12(11)8-9/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-3,6-dimethyl-1-benzofuran?
2-tert-butyl-3,6-dimethyl-1-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,6-dimethyl-1-benzofuran is sourced from PubChem (CID 164777392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).