1-bromo-7-methyldibenzofuran

C13H9BrO — CID 142340676

IUPAC1-bromo-7-methyldibenzofuran
SMILESCc1ccc2c(c1)oc1cccc(Br)c12
InChIInChI=1S/C13H9BrO/c1-8-5-6-9-12(7-8)15-11-4-2-3-10(14)13(9)11/h2-7H,1H3
InChIKeyDWYCWDGYTVFMHI-UHFFFAOYSA-N
MW261.12 g/mol
LogP4.66
Rot. Bonds

About 1-bromo-7-methyldibenzofuran

1-bromo-7-methyldibenzofuran (PubChem CID 142340676) has the molecular formula C13H9BrO and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-bromo-7-methyldibenzofuran.

Molecular Properties

Compound Name1-bromo-7-methyldibenzofuran
PubChem CID142340676
Molecular FormulaC13H9BrO
Molecular Weight261.12 g/mol
Exact Mass259.98
IUPAC Name1-bromo-7-methyldibenzofuran
SMILESCc1ccc2c(c1)oc1cccc(Br)c12
InChIInChI=1S/C13H9BrO/c1-8-5-6-9-12(7-8)15-11-4-2-3-10(14)13(9)11/h2-7H,1H3
InChIKeyDWYCWDGYTVFMHI-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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Related Compounds

1,7-dibromodibenzofuran
CID 6427988
1-hydroxy-6-methylxanthen-9-one
CID 13031893
1-bromo-6-methyltriphenylene
CID 151908557
(7-methyldibenzofuran-1-yl) acetate
CID 69395963
2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 164934286
3-methylxanthene-9-thione
CID 57266652
5-bromo-[1]benzofuro[2,3-c]pyridine
CID 166801895
1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
CID 134513522
6,18-bis(3-methylphenyl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59181915
7-bromo-2-methyldibenzofuran
CID 142427198
1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454
11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
CID 176795836

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyldibenzofuran?
The IUPAC name of 1-bromo-7-methyldibenzofuran (CID 142340676) is 1-bromo-7-methyldibenzofuran.
What is the SMILES notation for 1-bromo-7-methyldibenzofuran?
The canonical SMILES for 1-bromo-7-methyldibenzofuran is Cc1ccc2c(c1)oc1cccc(Br)c12.
What is the InChIKey of 1-bromo-7-methyldibenzofuran?
The InChIKey is DWYCWDGYTVFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO/c1-8-5-6-9-12(7-8)15-11-4-2-3-10(14)13(9)11/h2-7H,1H3.
What are the key properties of 1-bromo-7-methyldibenzofuran?
1-bromo-7-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 1-bromo-7-methyldibenzofuran is sourced from PubChem (CID 142340676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).