(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone

C12H9BrO3 — CID 136882732

IUPAC(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone
SMILESCc1cc(O)c(C(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C12H9BrO3/c1-7-6-10(14)12(16-7)11(15)8-2-4-9(13)5-3-8/h2-6,14H,1H3
InChIKeyJHRPEOQCKDVWLY-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.29
Rot. Bonds2

About (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone

(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone (PubChem CID 136882732) has the molecular formula C12H9BrO3 and a molecular weight of 281.11 g/mol. Its IUPAC name is (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone
PubChem CID136882732
Molecular FormulaC12H9BrO3
Molecular Weight281.11 g/mol
Exact Mass279.97
IUPAC Name(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone
SMILESCc1cc(O)c(C(=O)c2ccc(Br)cc2)o1
InChIInChI=1S/C12H9BrO3/c1-7-6-10(14)12(16-7)11(15)8-2-4-9(13)5-3-8/h2-6,14H,1H3
InChIKeyJHRPEOQCKDVWLY-UHFFFAOYSA-N
XLogP3.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone (CID 136882732) is (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone is Cc1cc(O)c(C(=O)c2ccc(Br)cc2)o1.
What is the InChIKey of (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone?
The InChIKey is JHRPEOQCKDVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO3/c1-7-6-10(14)12(16-7)11(15)8-2-4-9(13)5-3-8/h2-6,14H,1H3.
What are the key properties of (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone?
(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone has a molecular weight of 281.11 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone is sourced from PubChem (CID 136882732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).