Basic information
- Standard SMILES
COc1ccc(CCCCCCCCOc2ccc(CO)nc2C=CC(=O)O)cc1- InChIKey
KZMRFJQVVGEDDP-UHFFFAOYSA-N- Molecular formula
- C24H31NO5
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- 3-{6-Hydroxymethyl-3-[8(4-methoxyphenyl)octyloxy]pyridin-2-yl}propenoic Acid
- IUPAC
- 3-[6-(hydroxymethyl)-3-[8-(4-methoxyphenyl)octoxy]-2-pyridinyl]prop-2-enoic acid
Names & synonyms
SCHEMBL8694497KZMRFJQVVGEDDP-UHFFFAOYSA-N3-{6-Hydroxymethyl-3-[8(4-methoxyphenyl)octyloxy]pyridin-2-yl}propenoic Acid
Database identifiers
- PubChem CID
- 54021897
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Linked notes
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