3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran

C13H18O — CID 134427945

IUPAC3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OCC2C(C)(C)C
InChIInChI=1S/C13H18O/c1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10/h5-7,11H,8H2,1-4H3
InChIKeyYNKHUWOMYCESKS-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.52
Rot. Bonds

About 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran

3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran (PubChem CID 134427945) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran
PubChem CID134427945
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OCC2C(C)(C)C
InChIInChI=1S/C13H18O/c1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10/h5-7,11H,8H2,1-4H3
InChIKeyYNKHUWOMYCESKS-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran (CID 134427945) is 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran is Cc1cccc2c1OCC2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is YNKHUWOMYCESKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10/h5-7,11H,8H2,1-4H3.
What are the key properties of 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran?
3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 190.29 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 134427945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).