3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione

C19H16O4 — CID 91171114

IUPAC3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione
SMILESCOc1cccc2c1C(OC)C1(Cc3ccccc3C1=O)C2=O
InChIInChI=1S/C19H16O4/c1-22-14-9-5-8-13-15(14)18(23-2)19(17(13)21)10-11-6-3-4-7-12(11)16(19)20/h3-9,18H,10H2,1-2H3
InChIKeyGLUMNJVANBEWCQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.00
Rot. Bonds2

About 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione

3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione (PubChem CID 91171114) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione.

Molecular Properties

Compound Name3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione
PubChem CID91171114
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione
SMILESCOc1cccc2c1C(OC)C1(Cc3ccccc3C1=O)C2=O
InChIInChI=1S/C19H16O4/c1-22-14-9-5-8-13-15(14)18(23-2)19(17(13)21)10-11-6-3-4-7-12(11)16(19)20/h3-9,18H,10H2,1-2H3
InChIKeyGLUMNJVANBEWCQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473546
(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one
CID 102281335
(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548
methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
(1R,2R,10R)-8-methoxypentacyclo[11.8.0.02,10.04,9.016,21]henicosa-4(9),5,7,12,16,18,20-heptaen-3-one
CID 10686895
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477
methyl 3-oxo-2-propan-2-yl-1H-indene-2-carboxylate
CID 13461881
(3S)-N-(2-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 7263264
4-methoxy-3-methyl-3H-2-benzofuran-1-one
CID 585356
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478

Frequently Asked Questions

What is the IUPAC name of 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione?
The IUPAC name of 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione (CID 91171114) is 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione.
What is the SMILES notation for 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione?
The canonical SMILES for 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione is COc1cccc2c1C(OC)C1(Cc3ccccc3C1=O)C2=O.
What is the InChIKey of 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione?
The InChIKey is GLUMNJVANBEWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-22-14-9-5-8-13-15(14)18(23-2)19(17(13)21)10-11-6-3-4-7-12(11)16(19)20/h3-9,18H,10H2,1-2H3.
What are the key properties of 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione?
3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione has a molecular weight of 308.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione is sourced from PubChem (CID 91171114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).