3-bromo-7-chloro-4,6-dimethyldibenzofuran

C14H10BrClO — CID 62707291

IUPAC3-bromo-7-chloro-4,6-dimethyldibenzofuran
SMILESCc1c(Cl)ccc2c1oc1c(C)c(Br)ccc12
InChIInChI=1S/C14H10BrClO/c1-7-11(15)5-3-9-10-4-6-12(16)8(2)14(10)17-13(7)9/h3-6H,1-2H3
InChIKeyXGQOEFKEPZYFLH-UHFFFAOYSA-N
MW309.59 g/mol
LogP5.62
Rot. Bonds

About 3-bromo-7-chloro-4,6-dimethyldibenzofuran

3-bromo-7-chloro-4,6-dimethyldibenzofuran (PubChem CID 62707291) has the molecular formula C14H10BrClO and a molecular weight of 309.59 g/mol. Its IUPAC name is 3-bromo-7-chloro-4,6-dimethyldibenzofuran.

Molecular Properties

Compound Name3-bromo-7-chloro-4,6-dimethyldibenzofuran
PubChem CID62707291
Molecular FormulaC14H10BrClO
Molecular Weight309.59 g/mol
Exact Mass307.96
IUPAC Name3-bromo-7-chloro-4,6-dimethyldibenzofuran
SMILESCc1c(Cl)ccc2c1oc1c(C)c(Br)ccc12
InChIInChI=1S/C14H10BrClO/c1-7-11(15)5-3-9-10-4-6-12(16)8(2)14(10)17-13(7)9/h3-6H,1-2H3
InChIKeyXGQOEFKEPZYFLH-UHFFFAOYSA-N
XLogP5.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.59
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran
CID 68939110
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene
CID 154933123
2-bromo-7-chloro-3,4-dimethyl-1-benzofuran
CID 82380182
4-bromo-7-chloro-3-methyl-1-benzofuran
CID 114722812
5-bromo-3,4-dimethylxanthen-9-one
CID 59287847
1-bromo-3-chloro-4-iodo-2-methylbenzene
CID 90963698
2-bromo-1-(3-bromo-6-chloro-2-methylphenyl)ethanone
CID 171032819
1,2,4,6,7-pentabromodibenzofuran
CID 526238

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-4,6-dimethyldibenzofuran?
The IUPAC name of 3-bromo-7-chloro-4,6-dimethyldibenzofuran (CID 62707291) is 3-bromo-7-chloro-4,6-dimethyldibenzofuran.
What is the SMILES notation for 3-bromo-7-chloro-4,6-dimethyldibenzofuran?
The canonical SMILES for 3-bromo-7-chloro-4,6-dimethyldibenzofuran is Cc1c(Cl)ccc2c1oc1c(C)c(Br)ccc12.
What is the InChIKey of 3-bromo-7-chloro-4,6-dimethyldibenzofuran?
The InChIKey is XGQOEFKEPZYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO/c1-7-11(15)5-3-9-10-4-6-12(16)8(2)14(10)17-13(7)9/h3-6H,1-2H3.
What are the key properties of 3-bromo-7-chloro-4,6-dimethyldibenzofuran?
3-bromo-7-chloro-4,6-dimethyldibenzofuran has a molecular weight of 309.59 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-4,6-dimethyldibenzofuran is sourced from PubChem (CID 62707291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).