(4-bromophenyl)-(furan-2-yl)methanone

C11H7BrO2 — CID 11630200

IUPAC(4-bromophenyl)-(furan-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C11H7BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H
InChIKeyROQSRSVTBGSDJE-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.27
Rot. Bonds2

About (4-bromophenyl)-(furan-2-yl)methanone

(4-bromophenyl)-(furan-2-yl)methanone (PubChem CID 11630200) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is (4-bromophenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(furan-2-yl)methanone
PubChem CID11630200
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name(4-bromophenyl)-(furan-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C11H7BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H
InChIKeyROQSRSVTBGSDJE-UHFFFAOYSA-N
XLogP3.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(furan-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(furan-2-yl)methanone (CID 11630200) is (4-bromophenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(furan-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(furan-2-yl)methanone is O=C(c1ccc(Br)cc1)c1ccco1.
What is the InChIKey of (4-bromophenyl)-(furan-2-yl)methanone?
The InChIKey is ROQSRSVTBGSDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H.
What are the key properties of (4-bromophenyl)-(furan-2-yl)methanone?
(4-bromophenyl)-(furan-2-yl)methanone has a molecular weight of 251.08 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 11630200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).