5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione

C14H12O6 — CID 14824655

IUPAC5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione
SMILESCOc1cc(O)c2c(c1)C1(OC2=O)C(C)=CC(=O)C1O
InChIInChI=1S/C14H12O6/c1-6-3-10(16)12(17)14(6)8-4-7(19-2)5-9(15)11(8)13(18)20-14/h3-5,12,15,17H,1-2H3
InChIKeyISNKGHIHBITAEG-UHFFFAOYSA-N
MW276.24 g/mol
LogP0.66
Rot. Bonds1

About 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione

5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione (PubChem CID 14824655) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione.

Molecular Properties

Compound Name5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione
PubChem CID14824655
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione
SMILESCOc1cc(O)c2c(c1)C1(OC2=O)C(C)=CC(=O)C1O
InChIInChI=1S/C14H12O6/c1-6-3-10(16)12(17)14(6)8-4-7(19-2)5-9(15)11(8)13(18)20-14/h3-5,12,15,17H,1-2H3
InChIKeyISNKGHIHBITAEG-UHFFFAOYSA-N
XLogP0.66
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione with MolForge

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

Launch Full Analysis

Related Compounds

Zeranol
CID 2999413
Mycophenolic Acid
CID 446541
Zearalenone
CID 5281576
beta-Zearalanol
CID 65434
(-)-alpha-Zearalenol
CID 5284645
Beta-Zearalenol
CID 6437352
7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one
CID 22283
Zearalanone
CID 108003
Ethyl orsellinate
CID 75653
6-Methoxymellein
CID 83412
(5Z)-7-Oxozeaenol
CID 9863776
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, ethyl ester
CID 80201

Frequently Asked Questions

What is the IUPAC name of 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione?
The IUPAC name of 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione (CID 14824655) is 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione.
What is the SMILES notation for 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione?
The canonical SMILES for 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione is COc1cc(O)c2c(c1)C1(OC2=O)C(C)=CC(=O)C1O.
What is the InChIKey of 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione?
The InChIKey is ISNKGHIHBITAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-6-3-10(16)12(17)14(6)8-4-7(19-2)5-9(15)11(8)13(18)20-14/h3-5,12,15,17H,1-2H3.
What are the key properties of 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione?
5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione has a molecular weight of 276.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5',7-dihydroxy-5-methoxy-3'-methylspiro[2-benzofuran-3,4'-cyclopent-2-ene]-1,1'-dione is sourced from PubChem (CID 14824655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).