(3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

C15H9BrO3 — CID 674264

IUPAC(3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1coc2ccc(O)cc12
InChIInChI=1S/C15H9BrO3/c16-10-3-1-2-9(6-10)15(18)13-8-19-14-5-4-11(17)7-12(13)14/h1-8,17H
InChIKeyMNKNQIHSYWEFDX-UHFFFAOYSA-N
MW317.14 g/mol
LogP4.13
Rot. Bonds2

About (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

(3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (PubChem CID 674264) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
PubChem CID674264
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name(3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1coc2ccc(O)cc12
InChIInChI=1S/C15H9BrO3/c16-10-3-1-2-9(6-10)15(18)13-8-19-14-5-4-11(17)7-12(13)14/h1-8,17H
InChIKeyMNKNQIHSYWEFDX-UHFFFAOYSA-N
XLogP4.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The IUPAC name of (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (CID 674264) is (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is O=C(c1cccc(Br)c1)c1coc2ccc(O)cc12.
What is the InChIKey of (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The InChIKey is MNKNQIHSYWEFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-10-3-1-2-9(6-10)15(18)13-8-19-14-5-4-11(17)7-12(13)14/h1-8,17H.
What are the key properties of (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
(3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone has a molecular weight of 317.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 674264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).