(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one

C15H9BrO3 — CID 71453621

IUPAC(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cc(Br)ccc2O)Oc2ccccc21
InChIInChI=1S/C15H9BrO3/c16-10-5-6-12(17)9(7-10)8-14-15(18)11-3-1-2-4-13(11)19-14/h1-8,17H/b14-8-
InChIKeyAUKZKXDRMUZVNF-ZSOIEALJSA-N
MW317.14 g/mol
LogP3.77
Rot. Bonds1

About (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 71453621) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID71453621
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cc(Br)ccc2O)Oc2ccccc21
InChIInChI=1S/C15H9BrO3/c16-10-5-6-12(17)9(7-10)8-14-15(18)11-3-1-2-4-13(11)19-14/h1-8,17H/b14-8-
InChIKeyAUKZKXDRMUZVNF-ZSOIEALJSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[[5-bromo-2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one
CID 71457118
(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823576
2-hydroxy-5-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
CID 6447057
2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 3689060
(2Z)-2-[(3-bromothiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 138675403
6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
CID 175976907
CID 53380131
CID 53380131
2-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzonitrile
CID 138675407
(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
CID 50905816
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 941626
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
CID 177443194
methyl (2E)-2-[(2-hydroxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate
CID 2144472

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one (CID 71453621) is (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2cc(Br)ccc2O)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is AUKZKXDRMUZVNF-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-10-5-6-12(17)9(7-10)8-14-15(18)11-3-1-2-4-13(11)19-14/h1-8,17H/b14-8-.
What are the key properties of (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 317.14 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 71453621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).