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

C13H9BrO3 — CID 114973436

IUPAC(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1occc1Br
InChIInChI=1S/C13H9BrO3/c14-10-4-6-17-13(10)12(15)9-1-2-11-8(7-9)3-5-16-11/h1-2,4,6-7H,3,5H2
InChIKeyQIMDYQBCUDGOGE-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.21
Rot. Bonds2

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

(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 114973436) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID114973436
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1occc1Br
InChIInChI=1S/C13H9BrO3/c14-10-4-6-17-13(10)12(15)9-1-2-11-8(7-9)3-5-16-11/h1-2,4,6-7H,3,5H2
InChIKeyQIMDYQBCUDGOGE-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200694
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
(5-bromo-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 115606037
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86963089
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 114973436) is (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)CCO2)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is QIMDYQBCUDGOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-10-4-6-17-13(10)12(15)9-1-2-11-8(7-9)3-5-16-11/h1-2,4,6-7H,3,5H2.
What are the key properties of (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 293.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 114973436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).