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

C14H19BrO — CID 107294445

IUPAC5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
SMILESCC(C)C(Br)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C14H19BrO/c1-9(2)13(15)10-5-6-12-11(7-10)14(3,4)8-16-12/h5-7,9,13H,8H2,1-4H3
InChIKeyJGDQBRBMTMAOFX-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.45
Rot. Bonds2

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

5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran (PubChem CID 107294445) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
PubChem CID107294445
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
SMILESCC(C)C(Br)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C14H19BrO/c1-9(2)13(15)10-5-6-12-11(7-10)14(3,4)8-16-12/h5-7,9,13H,8H2,1-4H3
InChIKeyJGDQBRBMTMAOFX-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(3,5-difluorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294572
5-[bromo-(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294466
5-[bromo-(4,5-dibromothiophen-2-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294565
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294499
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-iodophenyl)methanol
CID 107294086
5-[chloro-(3,5-dichlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294269
2-(4-bromophenyl)-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294093
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293441
5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294225
5-[chloro-(3-chlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294378

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran?
The IUPAC name of 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran (CID 107294445) is 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran.
What is the SMILES notation for 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran?
The canonical SMILES for 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran is CC(C)C(Br)c1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran?
The InChIKey is JGDQBRBMTMAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-9(2)13(15)10-5-6-12-11(7-10)14(3,4)8-16-12/h5-7,9,13H,8H2,1-4H3.
What are the key properties of 5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran?
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran has a molecular weight of 283.21 g/mol, XLogP of 4.45, 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)-3,3-dimethyl-2H-1-benzofuran is sourced from PubChem (CID 107294445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).