4-bromo-2-propan-2-yldibenzofuran

C15H13BrO — CID 166912960

IUPAC4-bromo-2-propan-2-yldibenzofuran
SMILESCC(C)c1cc(Br)c2oc3ccccc3c2c1
InChIInChI=1S/C15H13BrO/c1-9(2)10-7-12-11-5-3-4-6-14(11)17-15(12)13(16)8-10/h3-9H,1-2H3
InChIKeyBOFGCKPIQCYFQS-UHFFFAOYSA-N
MW289.17 g/mol
LogP5.47
Rot. Bonds1

About 4-bromo-2-propan-2-yldibenzofuran

4-bromo-2-propan-2-yldibenzofuran (PubChem CID 166912960) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yldibenzofuran.

Molecular Properties

Compound Name4-bromo-2-propan-2-yldibenzofuran
PubChem CID166912960
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name4-bromo-2-propan-2-yldibenzofuran
SMILESCC(C)c1cc(Br)c2oc3ccccc3c2c1
InChIInChI=1S/C15H13BrO/c1-9(2)10-7-12-11-5-3-4-6-14(11)17-15(12)13(16)8-10/h3-9H,1-2H3
InChIKeyBOFGCKPIQCYFQS-UHFFFAOYSA-N
XLogP5.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
4-bromodibenzofuran-2-amine
CID 122462972
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane
CID 141477714
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
3-bromo-2,5-di(propan-2-yl)-1-benzofuran
CID 59463798
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-ethyl-3-methyl-2-propan-2-yldibenzofuran
CID 144782623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yldibenzofuran?
The IUPAC name of 4-bromo-2-propan-2-yldibenzofuran (CID 166912960) is 4-bromo-2-propan-2-yldibenzofuran.
What is the SMILES notation for 4-bromo-2-propan-2-yldibenzofuran?
The canonical SMILES for 4-bromo-2-propan-2-yldibenzofuran is CC(C)c1cc(Br)c2oc3ccccc3c2c1.
What is the InChIKey of 4-bromo-2-propan-2-yldibenzofuran?
The InChIKey is BOFGCKPIQCYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-9(2)10-7-12-11-5-3-4-6-14(11)17-15(12)13(16)8-10/h3-9H,1-2H3.
What are the key properties of 4-bromo-2-propan-2-yldibenzofuran?
4-bromo-2-propan-2-yldibenzofuran has a molecular weight of 289.17 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propan-2-yldibenzofuran is sourced from PubChem (CID 166912960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).