3-bromo-7-tert-butyldibenzofuran

C16H15BrO — CID 134401866

IUPAC3-bromo-7-tert-butyldibenzofuran
SMILESCC(C)(C)c1ccc2c(c1)oc1cc(Br)ccc12
InChIInChI=1S/C16H15BrO/c1-16(2,3)10-4-6-12-13-7-5-11(17)9-15(13)18-14(12)8-10/h4-9H,1-3H3
InChIKeyPITRMRVKQBMLIR-UHFFFAOYSA-N
MW303.20 g/mol
LogP5.65
Rot. Bonds

About 3-bromo-7-tert-butyldibenzofuran

3-bromo-7-tert-butyldibenzofuran (PubChem CID 134401866) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-bromo-7-tert-butyldibenzofuran.

Molecular Properties

Compound Name3-bromo-7-tert-butyldibenzofuran
PubChem CID134401866
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name3-bromo-7-tert-butyldibenzofuran
SMILESCC(C)(C)c1ccc2c(c1)oc1cc(Br)ccc12
InChIInChI=1S/C16H15BrO/c1-16(2,3)10-4-6-12-13-7-5-11(17)9-15(13)18-14(12)8-10/h4-9H,1-3H3
InChIKeyPITRMRVKQBMLIR-UHFFFAOYSA-N
XLogP5.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.20
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-tert-butyldibenzofuran?
The IUPAC name of 3-bromo-7-tert-butyldibenzofuran (CID 134401866) is 3-bromo-7-tert-butyldibenzofuran.
What is the SMILES notation for 3-bromo-7-tert-butyldibenzofuran?
The canonical SMILES for 3-bromo-7-tert-butyldibenzofuran is CC(C)(C)c1ccc2c(c1)oc1cc(Br)ccc12.
What is the InChIKey of 3-bromo-7-tert-butyldibenzofuran?
The InChIKey is PITRMRVKQBMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-16(2,3)10-4-6-12-13-7-5-11(17)9-15(13)18-14(12)8-10/h4-9H,1-3H3.
What are the key properties of 3-bromo-7-tert-butyldibenzofuran?
3-bromo-7-tert-butyldibenzofuran has a molecular weight of 303.20 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-tert-butyldibenzofuran is sourced from PubChem (CID 134401866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).