6-Butoxy-2,2-dimethylchroman-4-one

HCID 11054005
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCOc1ccc2c(c1)C(=O)CC(C)(C)O2
InChIKey
UEIJOFFCTBAQGZ-UHFFFAOYSA-N
Molecular formula
C15H20O3
Average molar mass
248.32 g/mol

Names & identifiers

Preferred name
6-Butoxy-2,2-dimethylchroman-4-one
IUPAC
6-butoxy-2,2-dimethyl-3H-chromen-4-one

Names & synonyms

SCHEMBL6935038UEIJOFFCTBAQGZ-UHFFFAOYSA-N6-butoxy-2,2-dimethylchroman-4-one

Database identifiers

PubChem CID
11054005

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Related reactions

5 records
New reaction record

Linked notes

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