5-tert-butyl-3-propan-2-yl-1-benzofuran

C15H20O — CID 176774938

IUPAC5-tert-butyl-3-propan-2-yl-1-benzofuran
SMILESCC(C)c1coc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C15H20O/c1-10(2)13-9-16-14-7-6-11(8-12(13)14)15(3,4)5/h6-10H,1-5H3
InChIKeyVMFAGJGIRZULOE-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.85
Rot. Bonds1

About 5-tert-butyl-3-propan-2-yl-1-benzofuran

5-tert-butyl-3-propan-2-yl-1-benzofuran (PubChem CID 176774938) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-tert-butyl-3-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name5-tert-butyl-3-propan-2-yl-1-benzofuran
PubChem CID176774938
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5-tert-butyl-3-propan-2-yl-1-benzofuran
SMILESCC(C)c1coc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C15H20O/c1-10(2)13-9-16-14-7-6-11(8-12(13)14)15(3,4)5/h6-10H,1-5H3
InChIKeyVMFAGJGIRZULOE-UHFFFAOYSA-N
XLogP4.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
CID 117195401
2-[5-(trifluoromethyl)-1-benzofuran-3-yl]propanoic acid
CID 117120641
1-(5-tert-butyl-1-benzofuran-3-yl)ethanone
CID 167542802
2,8-ditert-butyldibenzofuran
CID 14914466
(3-propan-2-yl-1-benzofuran-6-yl)methanol
CID 163817629
1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea
CID 14152806
6-tert-butyl-4-propan-2-ylisoquinoline
CID 138650094
3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride
CID 46741355
6-tert-butyl-3-chloro-1-benzofuran
CID 153011852
4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
CID 139682030
2,7-ditert-butylxanthen-9-one
CID 10859809

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-propan-2-yl-1-benzofuran?
The IUPAC name of 5-tert-butyl-3-propan-2-yl-1-benzofuran (CID 176774938) is 5-tert-butyl-3-propan-2-yl-1-benzofuran.
What is the SMILES notation for 5-tert-butyl-3-propan-2-yl-1-benzofuran?
The canonical SMILES for 5-tert-butyl-3-propan-2-yl-1-benzofuran is CC(C)c1coc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 5-tert-butyl-3-propan-2-yl-1-benzofuran?
The InChIKey is VMFAGJGIRZULOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10(2)13-9-16-14-7-6-11(8-12(13)14)15(3,4)5/h6-10H,1-5H3.
What are the key properties of 5-tert-butyl-3-propan-2-yl-1-benzofuran?
5-tert-butyl-3-propan-2-yl-1-benzofuran has a molecular weight of 216.32 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-propan-2-yl-1-benzofuran is sourced from PubChem (CID 176774938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).