(3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one

C17H14O3 — CID 15959102

IUPAC(3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one
SMILESCOc1ccc(/C=C2\OC(=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C17H14O3/c1-11-3-8-14-15(9-11)16(20-17(14)18)10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3/b16-10-
InChIKeyXPEZHVNNXLXYHM-YBEGLDIGSA-N
MW266.30 g/mol
LogP3.67
Rot. Bonds2

About (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one

(3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one (PubChem CID 15959102) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one
PubChem CID15959102
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one
SMILESCOc1ccc(/C=C2\OC(=O)c3ccc(C)cc32)cc1
InChIInChI=1S/C17H14O3/c1-11-3-8-14-15(9-11)16(20-17(14)18)10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3/b16-10-
InChIKeyXPEZHVNNXLXYHM-YBEGLDIGSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one (CID 15959102) is (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one is COc1ccc(/C=C2\OC(=O)c3ccc(C)cc32)cc1.
What is the InChIKey of (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one?
The InChIKey is XPEZHVNNXLXYHM-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-3-8-14-15(9-11)16(20-17(14)18)10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3/b16-10-.
What are the key properties of (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one?
(3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one has a molecular weight of 266.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one is sourced from PubChem (CID 15959102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).