1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one

C12H11BrO2 — CID 82264330

IUPAC1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one
SMILESCC(=O)Cc1oc2ccc(Br)cc2c1C
InChIInChI=1S/C12H11BrO2/c1-7(14)5-12-8(2)10-6-9(13)3-4-11(10)15-12/h3-4,6H,5H2,1-2H3
InChIKeyIGCUZMNCHHEHJT-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.64
Rot. Bonds2

About 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one

1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one (PubChem CID 82264330) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one
PubChem CID82264330
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one
SMILESCC(=O)Cc1oc2ccc(Br)cc2c1C
InChIInChI=1S/C12H11BrO2/c1-7(14)5-12-8(2)10-6-9(13)3-4-11(10)15-12/h3-4,6H,5H2,1-2H3
InChIKeyIGCUZMNCHHEHJT-UHFFFAOYSA-N
XLogP3.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one?
The IUPAC name of 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one (CID 82264330) is 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one?
The canonical SMILES for 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one is CC(=O)Cc1oc2ccc(Br)cc2c1C.
What is the InChIKey of 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one?
The InChIKey is IGCUZMNCHHEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-7(14)5-12-8(2)10-6-9(13)3-4-11(10)15-12/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one?
1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one has a molecular weight of 267.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one is sourced from PubChem (CID 82264330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).