Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
7-Furyl-3-methyl-4-chromanone
HCID
22175166
Save
New note
New reaction
Request quotes
Share
Print preview
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC1COc2cc(-c3ccco3)ccc2C1=O
InChIKey
DVKWJLMEZRXDHI-UHFFFAOYSA-N
Molecular formula
C14H12O3
Average molar mass
228.24 g/mol
Names & identifiers
Preferred name
7-Furyl-3-methyl-4-chromanone
IUPAC
7-(furan-2-yl)-3-methyl-2,3-dihydrochromen-4-one
Names & synonyms
SCHEMBL4704465
7-furyl-3-methyl-4-chromanone
DVKWJLMEZRXDHI-UHFFFAOYSA-N
Database identifiers
PubChem CID
22175166
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
302
Show all 8
Show all 8 / 8
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
7 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
49437
As reactant
uspto-grants-2004_03
HRID
277152
As reactant
uspto-grants-2002_03
HRID
299486
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
584715
As reactant
uspto-grants-2005_08
HRID
1059669
As reactant
uspto-grants-2003_02
HRID
1797031
As reactant
uspto-grants-2006_04
HRID
2249339
As reactant
uspto-grants-2008_01
Show 3 more
Compound notes
Loading…