(3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one

C19H11BrO2 — CID 2238107

IUPAC(3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Br)c3ccccc23)c2ccccc21
InChIInChI=1S/C19H11BrO2/c20-17-10-9-12(13-5-1-2-6-14(13)17)11-18-15-7-3-4-8-16(15)19(21)22-18/h1-11H/b18-11-
InChIKeyZPSVABHLRFCZDD-WQRHYEAKSA-N
MW351.20 g/mol
LogP5.27
Rot. Bonds1

About (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one

(3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one (PubChem CID 2238107) has the molecular formula C19H11BrO2 and a molecular weight of 351.20 g/mol. Its IUPAC name is (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one
PubChem CID2238107
Molecular FormulaC19H11BrO2
Molecular Weight351.20 g/mol
Exact Mass349.99
IUPAC Name(3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Br)c3ccccc23)c2ccccc21
InChIInChI=1S/C19H11BrO2/c20-17-10-9-12(13-5-1-2-6-14(13)17)11-18-15-7-3-4-8-16(15)19(21)22-18/h1-11H/b18-11-
InChIKeyZPSVABHLRFCZDD-WQRHYEAKSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.20
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one (CID 2238107) is (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2ccc(Br)c3ccccc23)c2ccccc21.
What is the InChIKey of (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one?
The InChIKey is ZPSVABHLRFCZDD-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H11BrO2/c20-17-10-9-12(13-5-1-2-6-14(13)17)11-18-15-7-3-4-8-16(15)19(21)22-18/h1-11H/b18-11-.
What are the key properties of (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one?
(3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one has a molecular weight of 351.20 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 2238107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).