2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone

C13H11BrO3 — CID 55026653

IUPAC2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
SMILESCc1cc(Br)ccc1OCC(=O)c1ccco1
InChIInChI=1S/C13H11BrO3/c1-9-7-10(14)4-5-12(9)17-8-11(15)13-3-2-6-16-13/h2-7H,8H2,1H3
InChIKeyLVGQDTJXXIUPFS-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone

2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone (PubChem CID 55026653) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
PubChem CID55026653
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
SMILESCc1cc(Br)ccc1OCC(=O)c1ccco1
InChIInChI=1S/C13H11BrO3/c1-9-7-10(14)4-5-12(9)17-8-11(15)13-3-2-6-16-13/h2-7H,8H2,1H3
InChIKeyLVGQDTJXXIUPFS-UHFFFAOYSA-N
XLogP3.61
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 3424062
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
3-[2-(furan-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 107659316
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone
CID 60624476
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
CID 43413085
2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 63566036
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
(4-bromo-2,6-dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
CID 3307497
1-(furan-2-yl)-2-(2-methoxy-4-nitrophenoxy)ethanone
CID 62109954
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone (CID 55026653) is 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone is Cc1cc(Br)ccc1OCC(=O)c1ccco1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone?
The InChIKey is LVGQDTJXXIUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-9-7-10(14)4-5-12(9)17-8-11(15)13-3-2-6-16-13/h2-7H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone?
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone has a molecular weight of 295.13 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 55026653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).