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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Related Compounds

(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
CID 15691552
4-amino-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 75464999
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879
(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 15420539
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
CID 139748942
4,8-ditert-butyl-3,4-dihydro-1H-isochromene
CID 140913670
2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117199454
diaminomethylidene-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)azanium nitrate
CID 138399228
N-(3,3-dimethylbutan-2-yl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 104827930
[(1R)-2-[(3S)-7-methyl-2,3-dihydro-1-benzofuran-3-yl]-1-(2-oxohydrazinyl)ethyl]boronic acid
CID 153396463

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).