1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-
Basic information
- CAS
80442-49-5- Standard SMILES
COc1c(O)c(C)cc2c(C(C)C)cc(O)c(C=O)c12- InChIKey
QWFNWXJYYIVFBK-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050905
Overview
1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)- has been reported in Hibiscus taiwanensis, Bombax ceiba, and Bombax anceps with data available.
Names & identifiers
- Preferred name
- 1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-
- IUPAC
- 2,7-dihydroxy-8-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Names & synonyms
1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-80442-49-5Isohemigossypol-1-methyl etherCHEMBL401282DTXSID802303232,7-dihydroxy-8-methoxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde
Database identifiers
- CAS
80442-49-5- PubChem CID
- 157642
- DTXSID
DTXSID80230323- ChEMBL
CHEMBL401282- Nikkaji
- J1.006.305A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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