5-Isopropoxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

HCID 57435902
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2c(c1OC(C)C)CCCC2=O
InChIKey
DVBHJGYJZTYGLP-UHFFFAOYSA-N
Molecular formula
C14H18O3
Average molar mass
234.29 g/mol

Names & identifiers

Preferred name
5-Isopropoxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
IUPAC
6-methoxy-5-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one

Names & synonyms

SCHEMBL4119937DVBHJGYJZTYGLP-UHFFFAOYSA-N5-Isopropoxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

Database identifiers

PubChem CID
57435902

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

5 records
New reaction record

Compound notes

Loading…