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

C14H20O — CID 126549100

IUPAC2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)OC(C(C)(C)C)C2C
InChIInChI=1S/C14H20O/c1-9-6-7-11-10(2)13(14(3,4)5)15-12(11)8-9/h6-8,10,13H,1-5H3
InChIKeyJWGSTWAJMBKIFG-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.91
Rot. Bonds

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

2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 126549100) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID126549100
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)OC(C(C)(C)C)C2C
InChIInChI=1S/C14H20O/c1-9-6-7-11-10(2)13(14(3,4)5)15-12(11)8-9/h6-8,10,13H,1-5H3
InChIKeyJWGSTWAJMBKIFG-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.91
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-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran (CID 126549100) is 2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)OC(C(C)(C)C)C2C.
What is the InChIKey of 2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is JWGSTWAJMBKIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-6-7-11-10(2)13(14(3,4)5)15-12(11)8-9/h6-8,10,13H,1-5H3.
What are the key properties of 2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran?
2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 204.31 g/mol, XLogP of 3.91, 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-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 126549100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).