(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one

C16H10O4 — CID 14547034

IUPAC(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc3c(c2)OCO3)Oc2ccccc21
InChIInChI=1S/C16H10O4/c17-16-11-3-1-2-4-12(11)20-15(16)8-10-5-6-13-14(7-10)19-9-18-13/h1-8H,9H2/b15-8-
InChIKeyUKIUPHJNZZDKGQ-NVNXTCNLSA-N
MW266.25 g/mol
LogP3.03
Rot. Bonds1

About (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one (PubChem CID 14547034) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
PubChem CID14547034
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc3c(c2)OCO3)Oc2ccccc21
InChIInChI=1S/C16H10O4/c17-16-11-3-1-2-4-12(11)20-15(16)8-10-5-6-13-14(7-10)19-9-18-13/h1-8H,9H2/b15-8-
InChIKeyUKIUPHJNZZDKGQ-NVNXTCNLSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 53.03
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 (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one (CID 14547034) is (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one is O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2ccccc21.
What is the InChIKey of (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one?
The InChIKey is UKIUPHJNZZDKGQ-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H10O4/c17-16-11-3-1-2-4-12(11)20-15(16)8-10-5-6-13-14(7-10)19-9-18-13/h1-8H,9H2/b15-8-.
What are the key properties of (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one?
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one has a molecular weight of 266.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one is sourced from PubChem (CID 14547034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).