7-methoxy-3-methylidenechromene-2,4-dione

C11H8O4 — CID 14090723

IUPAC7-methoxy-3-methylidenechromene-2,4-dione
SMILESC=C1C(=O)Oc2cc(OC)ccc2C1=O
InChIInChI=1S/C11H8O4/c1-6-10(12)8-4-3-7(14-2)5-9(8)15-11(6)13/h3-5H,1H2,2H3
InChIKeyTZHQDGNKTQNLBE-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.35
Rot. Bonds1

About 7-methoxy-3-methylidenechromene-2,4-dione

7-methoxy-3-methylidenechromene-2,4-dione (PubChem CID 14090723) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 7-methoxy-3-methylidenechromene-2,4-dione.

Molecular Properties

Compound Name7-methoxy-3-methylidenechromene-2,4-dione
PubChem CID14090723
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name7-methoxy-3-methylidenechromene-2,4-dione
SMILESC=C1C(=O)Oc2cc(OC)ccc2C1=O
InChIInChI=1S/C11H8O4/c1-6-10(12)8-4-3-7(14-2)5-9(8)15-11(6)13/h3-5H,1H2,2H3
InChIKeyTZHQDGNKTQNLBE-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
7-methyl-3-methylidenechromene-2,4-dione
CID 54426714
5-methoxy-1-benzofuran-2,3-dione
CID 153138791
3-methylidenebenzo[g]chromene-2,4-dione
CID 21301843
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 177440525
(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
CID 102208245
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
[2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
CID 4601532

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methylidenechromene-2,4-dione?
The IUPAC name of 7-methoxy-3-methylidenechromene-2,4-dione (CID 14090723) is 7-methoxy-3-methylidenechromene-2,4-dione.
What is the SMILES notation for 7-methoxy-3-methylidenechromene-2,4-dione?
The canonical SMILES for 7-methoxy-3-methylidenechromene-2,4-dione is C=C1C(=O)Oc2cc(OC)ccc2C1=O.
What is the InChIKey of 7-methoxy-3-methylidenechromene-2,4-dione?
The InChIKey is TZHQDGNKTQNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c1-6-10(12)8-4-3-7(14-2)5-9(8)15-11(6)13/h3-5H,1H2,2H3.
What are the key properties of 7-methoxy-3-methylidenechromene-2,4-dione?
7-methoxy-3-methylidenechromene-2,4-dione has a molecular weight of 204.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methylidenechromene-2,4-dione is sourced from PubChem (CID 14090723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).