(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone

C11H9BrO4 — CID 106851415

IUPAC(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2ccoc2Br)o1
InChIInChI=1S/C11H9BrO4/c1-14-6-7-2-3-9(16-7)10(13)8-4-5-15-11(8)12/h2-5H,6H2,1H3
InChIKeyBQBFKTBDQZKKJQ-UHFFFAOYSA-N
MW285.09 g/mol
LogP3.01
Rot. Bonds4

About (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone

(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 106851415) has the molecular formula C11H9BrO4 and a molecular weight of 285.09 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID106851415
Molecular FormulaC11H9BrO4
Molecular Weight285.09 g/mol
Exact Mass283.97
IUPAC Name(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)c2ccoc2Br)o1
InChIInChI=1S/C11H9BrO4/c1-14-6-7-2-3-9(16-7)10(13)8-4-5-15-11(8)12/h2-5H,6H2,1H3
InChIKeyBQBFKTBDQZKKJQ-UHFFFAOYSA-N
XLogP3.01
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 114368760
(3-bromo-2-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461679
5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
CID 106946933
(3-bromo-5-fluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461643
(3,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461687
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
(3-amino-2,5-difluorophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107123757
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 106851230
5-(methoxymethyl)furan-2-carbothioamide
CID 127005352
5-(methoxymethyl)furan-2-carboximidamide
CID 130995486

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone (CID 106851415) is (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)c2ccoc2Br)o1.
What is the InChIKey of (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is BQBFKTBDQZKKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO4/c1-14-6-7-2-3-9(16-7)10(13)8-4-5-15-11(8)12/h2-5H,6H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone?
(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 285.09 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 106851415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).