(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C10H9BrO3 — CID 106856818

IUPAC(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1ccoc1Br
InChIInChI=1S/C10H9BrO3/c11-10-7(4-6-14-10)9(12)8-3-1-2-5-13-8/h3-4,6H,1-2,5H2
InChIKeyAKRPYYOENNSXOB-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.92
Rot. Bonds2

About (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 106856818) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID106856818
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1ccoc1Br
InChIInChI=1S/C10H9BrO3/c11-10-7(4-6-14-10)9(12)8-3-1-2-5-13-8/h3-4,6H,1-2,5H2
InChIKeyAKRPYYOENNSXOB-UHFFFAOYSA-N
XLogP2.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone
CID 106691362
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106865225
(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647070
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 106851230
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
(3,5-dibromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102647030
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652727
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
3,4-dihydro-2H-pyran-6-yl-(2-ethoxyphenyl)methanone
CID 102647006

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 106856818) is (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is AKRPYYOENNSXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c11-10-7(4-6-14-10)9(12)8-3-1-2-5-13-8/h3-4,6H,1-2,5H2.
What are the key properties of (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 257.08 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 106856818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).