1-tert-butyldibenzofuran

C16H16O — CID 59078665

IUPAC1-tert-butyldibenzofuran
SMILESCC(C)(C)c1cccc2oc3ccccc3c12
InChIInChI=1S/C16H16O/c1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14/h4-10H,1-3H3
InChIKeyOVNHLFMAQJJDNU-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.88
Rot. Bonds

About 1-tert-butyldibenzofuran

1-tert-butyldibenzofuran (PubChem CID 59078665) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-tert-butyldibenzofuran.

Molecular Properties

Compound Name1-tert-butyldibenzofuran
PubChem CID59078665
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-tert-butyldibenzofuran
SMILESCC(C)(C)c1cccc2oc3ccccc3c12
InChIInChI=1S/C16H16O/c1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14/h4-10H,1-3H3
InChIKeyOVNHLFMAQJJDNU-UHFFFAOYSA-N
XLogP4.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butylbenzo[d][1,3,2]benzodioxaphosphepine
CID 123938498
2-dibenzofuran-1-yl-2-hydroxypropanethioic S-acid
CID 87312524
2,4-ditert-butyl-3-methyl-1-benzofuran
CID 134415276
10-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787377
1-tert-butyl-7-(4-tert-butyldibenzothiophen-2-yl)dibenzofuran
CID 138700384
O-ethyl 2-dibenzofuran-1-yl-2-hydroxypropanethioate
CID 87312648
9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole
CID 177242457
1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran
CID 138707220
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
(2-tert-butyldibenzofuran-3-yl)methanetriol
CID 163858130
CID 88536732
CID 88536732
1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
CID 176821901

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyldibenzofuran?
The IUPAC name of 1-tert-butyldibenzofuran (CID 59078665) is 1-tert-butyldibenzofuran.
What is the SMILES notation for 1-tert-butyldibenzofuran?
The canonical SMILES for 1-tert-butyldibenzofuran is CC(C)(C)c1cccc2oc3ccccc3c12.
What is the InChIKey of 1-tert-butyldibenzofuran?
The InChIKey is OVNHLFMAQJJDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14/h4-10H,1-3H3.
What are the key properties of 1-tert-butyldibenzofuran?
1-tert-butyldibenzofuran has a molecular weight of 224.30 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyldibenzofuran is sourced from PubChem (CID 59078665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).