2,4-ditert-butyl-3-methyl-1-benzofuran

C17H24O — CID 134415276

IUPAC2,4-ditert-butyl-3-methyl-1-benzofuran
SMILESCc1c(C(C)(C)C)oc2cccc(C(C)(C)C)c12
InChIInChI=1S/C17H24O/c1-11-14-12(16(2,3)4)9-8-10-13(14)18-15(11)17(5,6)7/h8-10H,1-7H3
InChIKeyIREJHHIZXKCYTM-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.34
Rot. Bonds

About 2,4-ditert-butyl-3-methyl-1-benzofuran

2,4-ditert-butyl-3-methyl-1-benzofuran (PubChem CID 134415276) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2,4-ditert-butyl-3-methyl-1-benzofuran.

Molecular Properties

Compound Name2,4-ditert-butyl-3-methyl-1-benzofuran
PubChem CID134415276
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2,4-ditert-butyl-3-methyl-1-benzofuran
SMILESCc1c(C(C)(C)C)oc2cccc(C(C)(C)C)c12
InChIInChI=1S/C17H24O/c1-11-14-12(16(2,3)4)9-8-10-13(14)18-15(11)17(5,6)7/h8-10H,1-7H3
InChIKeyIREJHHIZXKCYTM-UHFFFAOYSA-N
XLogP5.34
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-3-methyl-1-benzofuran-4-ol
CID 70367536
1-tert-butyldibenzofuran
CID 59078665
4-tert-butyl-3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 167164407
1-tert-butyl-2,3-dimethylbenzene;isocyanic acid
CID 87249720
10-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787377
1-tert-butylbenzo[d][1,3,2]benzodioxaphosphepine
CID 123938498
2-tert-butyl-3-methylthieno[3,2-b]furan
CID 129149024
5-tert-butyl-4-phenylchromen-2-one
CID 102302945
1,2-ditert-butyl-3-methylbenzene;bis(2,2-dimethylpropane)
CID 161097372
1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol
CID 117123033
2-(3-methyl-1-benzofuran-2-yl)propan-2-ol
CID 116987203
CID 175472927
CID 175472927

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-3-methyl-1-benzofuran?
The IUPAC name of 2,4-ditert-butyl-3-methyl-1-benzofuran (CID 134415276) is 2,4-ditert-butyl-3-methyl-1-benzofuran.
What is the SMILES notation for 2,4-ditert-butyl-3-methyl-1-benzofuran?
The canonical SMILES for 2,4-ditert-butyl-3-methyl-1-benzofuran is Cc1c(C(C)(C)C)oc2cccc(C(C)(C)C)c12.
What is the InChIKey of 2,4-ditert-butyl-3-methyl-1-benzofuran?
The InChIKey is IREJHHIZXKCYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-11-14-12(16(2,3)4)9-8-10-13(14)18-15(11)17(5,6)7/h8-10H,1-7H3.
What are the key properties of 2,4-ditert-butyl-3-methyl-1-benzofuran?
2,4-ditert-butyl-3-methyl-1-benzofuran has a molecular weight of 244.38 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-3-methyl-1-benzofuran is sourced from PubChem (CID 134415276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).