(3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one

C11H10O4 — CID 25135576

IUPAC(3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one
SMILESC/C=C1\OC(=O)c2c1ccc(OC)c2O
InChIInChI=1S/C11H10O4/c1-3-7-6-4-5-8(14-2)10(12)9(6)11(13)15-7/h3-5,12H,1-2H3/b7-3-
InChIKeyYCVXJZRPLHJINO-CLTKARDFSA-N
MW206.20 g/mol
LogP1.93
Rot. Bonds1

About (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one

(3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one (PubChem CID 25135576) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one
PubChem CID25135576
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name(3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one
SMILESC/C=C1\OC(=O)c2c1ccc(OC)c2O
InChIInChI=1S/C11H10O4/c1-3-7-6-4-5-8(14-2)10(12)9(6)11(13)15-7/h3-5,12H,1-2H3/b7-3-
InChIKeyYCVXJZRPLHJINO-CLTKARDFSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-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 (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one (CID 25135576) is (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one is C/C=C1\OC(=O)c2c1ccc(OC)c2O.
What is the InChIKey of (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one?
The InChIKey is YCVXJZRPLHJINO-CLTKARDFSA-N. The full InChI is InChI=1S/C11H10O4/c1-3-7-6-4-5-8(14-2)10(12)9(6)11(13)15-7/h3-5,12H,1-2H3/b7-3-.
What are the key properties of (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one?
(3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one has a molecular weight of 206.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one is sourced from PubChem (CID 25135576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).