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

C10H11BrO — CID 5323595

IUPAC5-bromo-3,3-dimethyl-2H-1-benzofuran
SMILESCC1(C)COc2ccc(Br)cc21
InChIInChI=1S/C10H11BrO/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5H,6H2,1-2H3
InChIKeyGHLAFQZIMFGGDC-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.12
Rot. Bonds

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

5-bromo-3,3-dimethyl-2H-1-benzofuran (PubChem CID 5323595) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 5-bromo-3,3-dimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3,3-dimethyl-2H-1-benzofuran
PubChem CID5323595
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name5-bromo-3,3-dimethyl-2H-1-benzofuran
SMILESCC1(C)COc2ccc(Br)cc21
InChIInChI=1S/C10H11BrO/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5H,6H2,1-2H3
InChIKeyGHLAFQZIMFGGDC-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3,3-dimethyl-2H-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-dimethyl-2H-1-benzofuran?
The IUPAC name of 5-bromo-3,3-dimethyl-2H-1-benzofuran (CID 5323595) is 5-bromo-3,3-dimethyl-2H-1-benzofuran.
What is the SMILES notation for 5-bromo-3,3-dimethyl-2H-1-benzofuran?
The canonical SMILES for 5-bromo-3,3-dimethyl-2H-1-benzofuran is CC1(C)COc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-dimethyl-2H-1-benzofuran?
The InChIKey is GHLAFQZIMFGGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5H,6H2,1-2H3.
What are the key properties of 5-bromo-3,3-dimethyl-2H-1-benzofuran?
5-bromo-3,3-dimethyl-2H-1-benzofuran has a molecular weight of 227.10 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-dimethyl-2H-1-benzofuran is sourced from PubChem (CID 5323595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).