(2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one

C19H16O4 — CID 71455344

IUPAC(2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESC=CCOc1ccccc1/C=C1\Oc2c(OC)cccc2C1=O
InChIInChI=1S/C19H16O4/c1-3-11-22-15-9-5-4-7-13(15)12-17-18(20)14-8-6-10-16(21-2)19(14)23-17/h3-10,12H,1,11H2,2H3/b17-12-
InChIKeyQQJDDUJTLONYSU-ATVHPVEESA-N
MW308.33 g/mol
LogP3.88
Rot. Bonds5

About (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 71455344) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID71455344
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESC=CCOc1ccccc1/C=C1\Oc2c(OC)cccc2C1=O
InChIInChI=1S/C19H16O4/c1-3-11-22-15-9-5-4-7-13(15)12-17-18(20)14-8-6-10-16(21-2)19(14)23-17/h3-10,12H,1,11H2,2H3/b17-12-
InChIKeyQQJDDUJTLONYSU-ATVHPVEESA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one (CID 71455344) is (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one is C=CCOc1ccccc1/C=C1\Oc2c(OC)cccc2C1=O.
What is the InChIKey of (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is QQJDDUJTLONYSU-ATVHPVEESA-N. The full InChI is InChI=1S/C19H16O4/c1-3-11-22-15-9-5-4-7-13(15)12-17-18(20)14-8-6-10-16(21-2)19(14)23-17/h3-10,12H,1,11H2,2H3/b17-12-.
What are the key properties of (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 308.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-methoxy-2-[(2-prop-2-enoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 71455344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).