Basic information
- Standard SMILES
CN1COc2cc3c(cc2C1)C=C(c1ccc(O)cc1)CO3- InChIKey
AVZDYHHZZLWEQD-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
Names & identifiers
- Preferred name
- 4-(3-Methyl-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)phenol
- IUPAC
- 4-(3-methyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-7-yl)phenol
Names & synonyms
SCHEMBL1199014CHEMBL3633752AVZDYHHZZLWEQD-UHFFFAOYSA-N4-(3-methyl-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)phenol
Database identifiers
- PubChem CID
- 25006476
- ChEMBL
CHEMBL3633752
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
1 records
Compound notes
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