4-(3-Methoxyphenyl)butan-2-one

HCID 11423902
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(CCC(C)=O)c1
InChIKey
GKSSPQLFNAMWSE-UHFFFAOYSA-N
Molecular formula
C11H14O2
Average molar mass
178.23 g/mol

Names & identifiers

Preferred name
4-(3-Methoxyphenyl)butan-2-one
IUPAC
4-(3-methoxyphenyl)butan-2-one

Names & synonyms

4-(3-methoxyphenyl)butan-2-one29114-51-04-(3-Methoxyphenyl)-2-butanoneSCHEMBL268552GKSSPQLFNAMWSE-UHFFFAOYSA-N1-(3-methoxyphenyl)butane-3-one1-(3-methoxyphenyl)-butane-3-one1-(3-methoxyphenyl)- butane-3-oneEN300-134741G28786

Database identifiers

PubChem CID
11423902
Nikkaji
J1.662.898K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Related reactions

11 records
New reaction record

Compound notes

Loading…