(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

C13H9BrO3 — CID 63020563

IUPAC(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1ccc(Br)o1
InChIInChI=1S/C13H9BrO3/c14-12-4-3-11(17-12)13(15)8-1-2-9-6-16-7-10(9)5-8/h1-5H,6-7H2
InChIKeyVCEFBNFZSJUBFG-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.30
Rot. Bonds2

About (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 63020563) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID63020563
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1ccc(Br)o1
InChIInChI=1S/C13H9BrO3/c14-12-4-3-11(17-12)13(15)8-1-2-9-6-16-7-10(9)5-8/h1-5H,6-7H2
InChIKeyVCEFBNFZSJUBFG-UHFFFAOYSA-N
XLogP3.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
(5-bromofuran-2-yl)-(4-chlorophenyl)methanone
CID 43462859
6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006405
(3-amino-2-bromophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 113367216
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062
1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
CID 63731843
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 106655875
(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63730810
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 63020563) is (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)COC2)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is VCEFBNFZSJUBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-12-4-3-11(17-12)13(15)8-1-2-9-6-16-7-10(9)5-8/h1-5H,6-7H2.
What are the key properties of (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone?
(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 293.12 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone is sourced from PubChem (CID 63020563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).