7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran

C10H10BrClO — CID 15052932

IUPAC7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C10H10BrClO/c1-10(2)5-6-3-7(12)4-8(11)9(6)13-10/h3-4H,5H2,1-2H3
InChIKeySCLWNCRTWGOJOO-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.82
Rot. Bonds

About 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran

7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran (PubChem CID 15052932) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
PubChem CID15052932
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C10H10BrClO/c1-10(2)5-6-3-7(12)4-8(11)9(6)13-10/h3-4H,5H2,1-2H3
InChIKeySCLWNCRTWGOJOO-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 171787900
7-(2-bromoethyl)-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 175293076
7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid
CID 162469817
8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
CID 64698086
1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 58294043
5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran
CID 145039185
1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine
CID 117382918
N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine
CID 87389172
(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl) hydrogen carbonate
CID 67793213
2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol
CID 84813640
[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine
CID 117418812
8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046027

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran (CID 15052932) is 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran is CC1(C)Cc2cc(Cl)cc(Br)c2O1.
What is the InChIKey of 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is SCLWNCRTWGOJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-10(2)5-6-3-7(12)4-8(11)9(6)13-10/h3-4H,5H2,1-2H3.
What are the key properties of 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran?
7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 261.55 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 15052932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).