1,7-dibromodibenzofuran

C12H6Br2O — CID 6427988

IUPAC1,7-dibromodibenzofuran
SMILESBrc1ccc2c(c1)oc1cccc(Br)c12
InChIInChI=1S/C12H6Br2O/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H
InChIKeyHXTPPPWXNHSMLZ-UHFFFAOYSA-N
MW325.99 g/mol
LogP5.11
Rot. Bonds

About 1,7-dibromodibenzofuran

1,7-dibromodibenzofuran (PubChem CID 6427988) has the molecular formula C12H6Br2O and a molecular weight of 325.99 g/mol. Its IUPAC name is 1,7-dibromodibenzofuran.

Molecular Properties

Compound Name1,7-dibromodibenzofuran
PubChem CID6427988
Molecular FormulaC12H6Br2O
Molecular Weight325.99 g/mol
Exact Mass323.88
IUPAC Name1,7-dibromodibenzofuran
SMILESBrc1ccc2c(c1)oc1cccc(Br)c12
InChIInChI=1S/C12H6Br2O/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H
InChIKeyHXTPPPWXNHSMLZ-UHFFFAOYSA-N
XLogP5.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.99
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-7-methyldibenzofuran
CID 142340676
5,9-dibromonaphtho[2,1-b][1]benzofuran
CID 90263899
3-bromoanthra[2,1-b][1]benzofuran
CID 89117267
5-bromo-[1]benzofuro[2,3-c]pyridine
CID 166801895
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 164934286
3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
CID 163787145
1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454
11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
CID 176795836
3-bromo-7-tert-butyldibenzofuran
CID 134401866
7-bromodibenzofuran-3-carbonitrile;3,7-dibromodibenzofuran
CID 160842363
7-bromo-2-methyldibenzofuran
CID 142427198

Frequently Asked Questions

What is the IUPAC name of 1,7-dibromodibenzofuran?
The IUPAC name of 1,7-dibromodibenzofuran (CID 6427988) is 1,7-dibromodibenzofuran.
What is the SMILES notation for 1,7-dibromodibenzofuran?
The canonical SMILES for 1,7-dibromodibenzofuran is Brc1ccc2c(c1)oc1cccc(Br)c12.
What is the InChIKey of 1,7-dibromodibenzofuran?
The InChIKey is HXTPPPWXNHSMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O/c13-7-4-5-8-11(6-7)15-10-3-1-2-9(14)12(8)10/h1-6H.
What are the key properties of 1,7-dibromodibenzofuran?
1,7-dibromodibenzofuran has a molecular weight of 325.99 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibromodibenzofuran is sourced from PubChem (CID 6427988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).