2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran

C13H15BrO — CID 82379660

IUPAC2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
SMILESCCc1c(Br)oc2c(C(C)C)cccc12
InChIInChI=1S/C13H15BrO/c1-4-9-11-7-5-6-10(8(2)3)12(11)15-13(9)14/h5-8H,4H2,1-3H3
InChIKeyHAMNLJKGVCTAPG-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.88
Rot. Bonds2

About 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran

2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran (PubChem CID 82379660) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
PubChem CID82379660
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
SMILESCCc1c(Br)oc2c(C(C)C)cccc12
InChIInChI=1S/C13H15BrO/c1-4-9-11-7-5-6-10(8(2)3)12(11)15-13(9)14/h5-8H,4H2,1-3H3
InChIKeyHAMNLJKGVCTAPG-UHFFFAOYSA-N
XLogP4.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-3-ethyl-7-propan-2-yl-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

Related Compounds

1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride
CID 82378293
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
(6-propan-2-yldibenzofuran-1-yl)boronic acid
CID 140857097
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
4-ethyl-3-methyl-2-propan-2-yldibenzofuran
CID 144782623
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
8-propan-2-yl-[1]benzofuro[2,3-c]pyridine
CID 139383147
1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran
CID 158807275
4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane
CID 144782622

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran?
The IUPAC name of 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran (CID 82379660) is 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran.
What is the SMILES notation for 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran?
The canonical SMILES for 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran is CCc1c(Br)oc2c(C(C)C)cccc12.
What is the InChIKey of 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran?
The InChIKey is HAMNLJKGVCTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-4-9-11-7-5-6-10(8(2)3)12(11)15-13(9)14/h5-8H,4H2,1-3H3.
What are the key properties of 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran?
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran has a molecular weight of 267.17 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran is sourced from PubChem (CID 82379660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).