(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone

C14H12Br2O4 — CID 104657187

IUPAC(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)c2ccc(Br)o2)cc1Br
InChIInChI=1S/C14H12Br2O4/c1-18-6-7-19-11-3-2-9(8-10(11)15)14(17)12-4-5-13(16)20-12/h2-5,8H,6-7H2,1H3
InChIKeyQABBOXGUJUVWQX-UHFFFAOYSA-N
MW404.05 g/mol
LogP4.06
Rot. Bonds6

About (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone

(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone (PubChem CID 104657187) has the molecular formula C14H12Br2O4 and a molecular weight of 404.05 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
PubChem CID104657187
Molecular FormulaC14H12Br2O4
Molecular Weight404.05 g/mol
Exact Mass401.91
IUPAC Name(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccc(C(=O)c2ccc(Br)o2)cc1Br
InChIInChI=1S/C14H12Br2O4/c1-18-6-7-19-11-3-2-9(8-10(11)15)14(17)12-4-5-13(16)20-12/h2-5,8H,6-7H2,1H3
InChIKeyQABBOXGUJUVWQX-UHFFFAOYSA-N
XLogP4.06
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-4-(2-methoxyethoxy)phenyl]-(5-ethylfuran-2-yl)methanone
CID 104657127
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062
3-bromo-N-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylthiophen-3-yl)methanone
CID 104657138
[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-3,3-dimethylbutan-1-one
CID 113438033
(3-bromo-4-ethoxyphenyl)-(5-nitrofuran-2-yl)methanone
CID 104656903

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone (CID 104657187) is (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccc(C(=O)c2ccc(Br)o2)cc1Br.
What is the InChIKey of (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is QABBOXGUJUVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O4/c1-18-6-7-19-11-3-2-9(8-10(11)15)14(17)12-4-5-13(16)20-12/h2-5,8H,6-7H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone?
(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 404.05 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 104657187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).