Basic information
- Standard SMILES
COc1ccc(C(CCCCC(=O)O)C2=C(C)C(=O)c3ccccc3C2=O)cc1- InChIKey
IMGULWYGCDVCHU-UHFFFAOYSA-N- Molecular formula
- C24H24O5
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.16237386
Names & identifiers
- Preferred name
- 6-(3-Methyl-1,4-naphthoquinon-2-yl)-6-(4-methoxyphenyl)hexanoic acid
- IUPAC
- 6-(4-methoxyphenyl)-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hexanoic acid
Names & synonyms
SCHEMBL7821080IMGULWYGCDVCHU-UHFFFAOYSA-N6-(3-methyl-1,4-naphthoquinon -2-yl)-6-(4-methoxyphenyl)hexanoic acid6-(3-methyl-1,4-naphthoquinon-2-yl)-6-(4-methoxyphenyl)hexanoic acid6-(4-Methoxyphenyl)-6-(3-methyl-1,4-naphthoquinon-2-yl)hexanoic acid
Database identifiers
- PubChem CID
- 15230858
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Related reactions
4 records
Compound notes
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