Basic information
- Standard SMILES
COc1ccc(-c2c(OC(C)C)c(=O)c2=O)cc1- InChIKey
KDWBMAUONUAAJB-UHFFFAOYSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
Names & identifiers
- Preferred name
- 3-Isopropoxy-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-(4-methoxyphenyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL7536375KDWBMAUONUAAJB-UHFFFAOYSA-KDWBMAUONUAAJB-UHFFFAOYSA-N3-isopropoxy-4-(4-methoxy-phenyl)-cyclobut-3-ene-1,2-dione4-(1-methylethoxy)-3-(4-methoxyphenyl)cyclobut-3-ene-1,2-dioneInChI=1/C14H14O4/c1-8(2)18-14-11(12(15)13(14)16)9-4-6-10(17-3)7-5-9/h4-8H,1-3H3
Database identifiers
- PubChem CID
- 14737843
- Nikkaji
- J337.514E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Related reactions
33 records
Compound notes
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