2,8-ditert-butyldibenzofuran

C20H24O — CID 14914466

IUPAC2,8-ditert-butyldibenzofuran
SMILESCC(C)(C)c1ccc2oc3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C20H24O/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12H,1-6H3
InChIKeySJGXOBRPLZLBFY-UHFFFAOYSA-N
MW280.41 g/mol
LogP6.18
Rot. Bonds

About 2,8-ditert-butyldibenzofuran

2,8-ditert-butyldibenzofuran (PubChem CID 14914466) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,8-ditert-butyldibenzofuran.

Molecular Properties

Compound Name2,8-ditert-butyldibenzofuran
PubChem CID14914466
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2,8-ditert-butyldibenzofuran
SMILESCC(C)(C)c1ccc2oc3ccc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C20H24O/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12H,1-6H3
InChIKeySJGXOBRPLZLBFY-UHFFFAOYSA-N
XLogP6.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-ditert-butylxanthen-9-one
CID 10859809
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran
CID 58461816
(8-tert-butyldibenzofuran-2-yl) trifluoromethanesulfonate
CID 134471977
6-tert-butyl-1,3-benzoxazine-2,4-dione
CID 59410453
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
9-bromo-2-tert-butylbenzo[c]chromen-6-one
CID 102428910
2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
6,17-ditert-butyl-11,22-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15(20),16,18-nonaene-10,21-dione
CID 122227213
9-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787408
2-(8-ethyldibenzofuran-2-yl)propan-2-ol
CID 163920866
2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran
CID 154955399

Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyldibenzofuran?
The IUPAC name of 2,8-ditert-butyldibenzofuran (CID 14914466) is 2,8-ditert-butyldibenzofuran.
What is the SMILES notation for 2,8-ditert-butyldibenzofuran?
The canonical SMILES for 2,8-ditert-butyldibenzofuran is CC(C)(C)c1ccc2oc3ccc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 2,8-ditert-butyldibenzofuran?
The InChIKey is SJGXOBRPLZLBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12H,1-6H3.
What are the key properties of 2,8-ditert-butyldibenzofuran?
2,8-ditert-butyldibenzofuran has a molecular weight of 280.41 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyldibenzofuran is sourced from PubChem (CID 14914466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).