1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone

C11H11BrO3 — CID 83903503

IUPAC1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc(Br)c2c1OCC2
InChIInChI=1S/C11H11BrO3/c1-6(13)8-5-9(12)7-3-4-15-11(7)10(8)14-2/h5H,3-4H2,1-2H3
InChIKeyFEFYFPURZMHDMK-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.60
Rot. Bonds2

About 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone

1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone (PubChem CID 83903503) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
PubChem CID83903503
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
SMILESCOc1c(C(C)=O)cc(Br)c2c1OCC2
InChIInChI=1S/C11H11BrO3/c1-6(13)8-5-9(12)7-3-4-15-11(7)10(8)14-2/h5H,3-4H2,1-2H3
InChIKeyFEFYFPURZMHDMK-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-acetyl-5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl) acetate
CID 13337441
methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
CID 135377329
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)ethanone
CID 84713456
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
1-(6-bromo-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone
CID 117458830
1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
CID 117373298
1-[3-bromo-5-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131569733
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 117466605
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83898955
N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane
CID 144855943
4-bromo-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 121001076

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The IUPAC name of 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone (CID 83903503) is 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The canonical SMILES for 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone is COc1c(C(C)=O)cc(Br)c2c1OCC2.
What is the InChIKey of 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The InChIKey is FEFYFPURZMHDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-6(13)8-5-9(12)7-3-4-15-11(7)10(8)14-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone has a molecular weight of 271.11 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone is sourced from PubChem (CID 83903503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).