(2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one

C20H18O3 — CID 71462511

IUPAC(2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one
SMILESCC(C)=CCOc1ccccc1/C=C1\Oc2ccccc2C1=O
InChIInChI=1S/C20H18O3/c1-14(2)11-12-22-17-9-5-3-7-15(17)13-19-20(21)16-8-4-6-10-18(16)23-19/h3-11,13H,12H2,1-2H3/b19-13-
InChIKeyIGKXLSSHHPLUKY-UYRXBGFRSA-N
MW306.36 g/mol
LogP4.65
Rot. Bonds4

About (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one

(2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one (PubChem CID 71462511) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one
PubChem CID71462511
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one
SMILESCC(C)=CCOc1ccccc1/C=C1\Oc2ccccc2C1=O
InChIInChI=1S/C20H18O3/c1-14(2)11-12-22-17-9-5-3-7-15(17)13-19-20(21)16-8-4-6-10-18(16)23-19/h3-11,13H,12H2,1-2H3/b19-13-
InChIKeyIGKXLSSHHPLUKY-UYRXBGFRSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one (CID 71462511) is (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one is CC(C)=CCOc1ccccc1/C=C1\Oc2ccccc2C1=O.
What is the InChIKey of (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one?
The InChIKey is IGKXLSSHHPLUKY-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H18O3/c1-14(2)11-12-22-17-9-5-3-7-15(17)13-19-20(21)16-8-4-6-10-18(16)23-19/h3-11,13H,12H2,1-2H3/b19-13-.
What are the key properties of (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one?
(2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one has a molecular weight of 306.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[2-(3-methylbut-2-enoxy)phenyl]methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 71462511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).