8-Formyl-7-hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone
Basic information
- CAS
74636-01-4- Standard SMILES
COC1=C(C)C(=O)c2c(C(C)C)cc(O)c(C=O)c2C1=O- InChIKey
WTEOXZLDJRUGCX-UHFFFAOYSA-N- Molecular formula
- C16H16O5
- Average molar mass
- 288.29 g/mol
- Monoisotopic mass
- 288.09977361
Overview
2-Hydroxy-7-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde has been reported in Bombax ceiba, Bombax anceps, and Pachira aquatica with data available.
Names & identifiers
- Preferred name
- 8-Formyl-7-hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone
- IUPAC
- 2-hydroxy-7-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
- English name
- 2-Hydroxy-4-isopropyl-5,8-dioxo-6-methyl-7-methoxy-5,8-dihydronaphthalene-1-carbaldehyde
- Molecular weight
- 0
Names & synonyms
8-formyl-7-hydroxy-5-isopropyl-2-methoxy-3-methyl-1,4-naphthoquinone8-formyl-HIMMNQRefChem:914560Bombaxquinone B74636-01-42-hydroxy-7-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehydeNSC 305501NSC305501DTXSID60316659NAPHTHALENECARBOXALDEHYDE DERIVNSC-3055012-hydroxy-7-methoxy-6-methyl-5,8-dioxo-4-(propan-2-yl)-5,8-dihydronaphthalene-1-carbaldehyde
Show more names
2-Methoxy-3-methyl-5-isopropyl-7-hydroxy-8-formyl-1,4-naphthoquinone5,8-Dihydro-2-hydroxy-7-methoxy-6-methyl-4-isopropyl-5,8-dioxo-1-naphthalenecarbaldehyde2-Hydroxy-4-isopropyl-5,8-dioxo-6-methyl-7-methoxy-5,8-dihydronaphthalene-1-carbaldehyde
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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