5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione

C20H14O5 — CID 54291085

IUPAC5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
SMILESC=C1OC(=O)c2cc(Cc3cc4c(cc3C)C(=O)OC4=O)c(C)cc21
InChIInChI=1S/C20H14O5/c1-9-4-14-11(3)24-18(21)16(14)7-12(9)6-13-8-17-15(5-10(13)2)19(22)25-20(17)23/h4-5,7-8H,3,6H2,1-2H3
InChIKeyRXOGQVIPVRCDLW-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.35
Rot. Bonds2

About 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione

5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione (PubChem CID 54291085) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
PubChem CID54291085
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
SMILESC=C1OC(=O)c2cc(Cc3cc4c(cc3C)C(=O)OC4=O)c(C)cc21
InChIInChI=1S/C20H14O5/c1-9-4-14-11(3)24-18(21)16(14)7-12(9)6-13-8-17-15(5-10(13)2)19(22)25-20(17)23/h4-5,7-8H,3,6H2,1-2H3
InChIKeyRXOGQVIPVRCDLW-UHFFFAOYSA-N
XLogP3.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-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

5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 156576329
5,6-diethyl-2-benzofuran-1,3-dione
CID 86603556
5,6-dichloro-3-methylidene-2-benzofuran-1-one
CID 118463747
11,11,22,22-tetramethyl-18-methylidene-6,17-dioxahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-2,4(8),9,13,15(19),20-hexaene-5,7,16-trione
CID 161394033
(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione
CID 144910651
23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
CID 123358491
33,43-dimethylidene-8,20,32,44-tetraoxa-49,50,51,52-tetrazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1(48),2,4,6(10),11,13,15,17,22,24,26,28(36),29,34,37,39,41,46-octadecaene-7,9,19,21,31,45-hexone
CID 174099703
2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyethyl 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 146653316
5-[4-[2-[3,5-dimethyl-4-[(1-methylidene-3-oxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]-2-benzofuran-1,3-dione
CID 144539172
3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione
CID 121368252
5-methyl-6-(1-methylcyclopropyl)-2-benzofuran-1,3-dione
CID 123164993
(1,3-dioxo-2-benzofuran-5-carbonyl)oxymethyl 1-methylidene-3-oxo-2-benzofuran-5-carboxylate
CID 118545018

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione (CID 54291085) is 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione is C=C1OC(=O)c2cc(Cc3cc4c(cc3C)C(=O)OC4=O)c(C)cc21.
What is the InChIKey of 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
The InChIKey is RXOGQVIPVRCDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c1-9-4-14-11(3)24-18(21)16(14)7-12(9)6-13-8-17-15(5-10(13)2)19(22)25-20(17)23/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione has a molecular weight of 334.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 54291085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).