7-bromo-2-methyldibenzofuran

C13H9BrO — CID 142427198

IUPAC7-bromo-2-methyldibenzofuran
SMILESCc1ccc2oc3cc(Br)ccc3c2c1
InChIInChI=1S/C13H9BrO/c1-8-2-5-12-11(6-8)10-4-3-9(14)7-13(10)15-12/h2-7H,1H3
InChIKeyOFKICBDKDDBXHU-UHFFFAOYSA-N
MW261.12 g/mol
LogP4.66
Rot. Bonds

About 7-bromo-2-methyldibenzofuran

7-bromo-2-methyldibenzofuran (PubChem CID 142427198) has the molecular formula C13H9BrO and a molecular weight of 261.12 g/mol. Its IUPAC name is 7-bromo-2-methyldibenzofuran.

Molecular Properties

Compound Name7-bromo-2-methyldibenzofuran
PubChem CID142427198
Molecular FormulaC13H9BrO
Molecular Weight261.12 g/mol
Exact Mass259.98
IUPAC Name7-bromo-2-methyldibenzofuran
SMILESCc1ccc2oc3cc(Br)ccc3c2c1
InChIInChI=1S/C13H9BrO/c1-8-2-5-12-11(6-8)10-4-3-9(14)7-13(10)15-12/h2-7H,1H3
InChIKeyOFKICBDKDDBXHU-UHFFFAOYSA-N
XLogP4.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyldibenzofuran?
The IUPAC name of 7-bromo-2-methyldibenzofuran (CID 142427198) is 7-bromo-2-methyldibenzofuran.
What is the SMILES notation for 7-bromo-2-methyldibenzofuran?
The canonical SMILES for 7-bromo-2-methyldibenzofuran is Cc1ccc2oc3cc(Br)ccc3c2c1.
What is the InChIKey of 7-bromo-2-methyldibenzofuran?
The InChIKey is OFKICBDKDDBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO/c1-8-2-5-12-11(6-8)10-4-3-9(14)7-13(10)15-12/h2-7H,1H3.
What are the key properties of 7-bromo-2-methyldibenzofuran?
7-bromo-2-methyldibenzofuran has a molecular weight of 261.12 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyldibenzofuran is sourced from PubChem (CID 142427198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).