5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran

C14H19BrO — CID 63447752

IUPAC5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
SMILESCC(C)C(Br)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H19BrO/c1-9(2)13(15)10-5-6-12-11(7-10)8-14(3,4)16-12/h5-7,9,13H,8H2,1-4H3
InChIKeyDGUKUDFGHXLPIL-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.49
Rot. Bonds2

About 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran

5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran (PubChem CID 63447752) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
PubChem CID63447752
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
SMILESCC(C)C(Br)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H19BrO/c1-9(2)13(15)10-5-6-12-11(7-10)8-14(3,4)16-12/h5-7,9,13H,8H2,1-4H3
InChIKeyDGUKUDFGHXLPIL-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-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-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran (CID 63447752) is 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran is CC(C)C(Br)c1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is DGUKUDFGHXLPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-9(2)13(15)10-5-6-12-11(7-10)8-14(3,4)16-12/h5-7,9,13H,8H2,1-4H3.
What are the key properties of 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran?
5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 283.21 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 63447752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).