(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one

C17H11FO4 — CID 60602379

IUPAC(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESO=C1/C(=C/c2cccc(F)c2)COc2cc3c(cc21)OCO3
InChIInChI=1S/C17H11FO4/c18-12-3-1-2-10(5-12)4-11-8-20-14-7-16-15(21-9-22-16)6-13(14)17(11)19/h1-7H,8-9H2/b11-4+
InChIKeyLOCDGXHULOZGDA-NYYWCZLTSA-N
MW298.27 g/mol
LogP3.21
Rot. Bonds1

About (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one

(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one (PubChem CID 60602379) has the molecular formula C17H11FO4 and a molecular weight of 298.27 g/mol. Its IUPAC name is (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one.

Molecular Properties

Compound Name(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID60602379
Molecular FormulaC17H11FO4
Molecular Weight298.27 g/mol
Exact Mass298.06
IUPAC Name(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESO=C1/C(=C/c2cccc(F)c2)COc2cc3c(cc21)OCO3
InChIInChI=1S/C17H11FO4/c18-12-3-1-2-10(5-12)4-11-8-20-14-7-16-15(21-9-22-16)6-13(14)17(11)19/h1-7H,8-9H2/b11-4+
InChIKeyLOCDGXHULOZGDA-NYYWCZLTSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
The IUPAC name of (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one (CID 60602379) is (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one.
What is the SMILES notation for (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
The canonical SMILES for (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one is O=C1/C(=C/c2cccc(F)c2)COc2cc3c(cc21)OCO3.
What is the InChIKey of (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
The InChIKey is LOCDGXHULOZGDA-NYYWCZLTSA-N. The full InChI is InChI=1S/C17H11FO4/c18-12-3-1-2-10(5-12)4-11-8-20-14-7-16-15(21-9-22-16)6-13(14)17(11)19/h1-7H,8-9H2/b11-4+.
What are the key properties of (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one?
(7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one has a molecular weight of 298.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(3-fluorophenyl)methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one is sourced from PubChem (CID 60602379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).