HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-(Butoxymethyl)-4-methoxybenzene

HCID 220121
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5333-52-8
Standard SMILES
CCCCOCc1ccc(OC)cc1
InChIKey
CWTASUFNGJFIMV-UHFFFAOYSA-N
Molecular formula
C12H18O2
Average molar mass
194.27 g/mol
Monoisotopic mass
194.13067981

Names & identifiers

Preferred name
1-(Butoxymethyl)-4-methoxybenzene
IUPAC
1-(butoxymethyl)-4-methoxybenzene

Names & synonyms

1-(butoxymethyl)-4-methoxybenzene5333-52-8Butyl 4-methoxybenzyl etherNSC2415SCHEMBL9022493SCHEMBL10887896SCHEMBL15233070DTXSID60277458CWTASUFNGJFIMV-UHFFFAOYSA-NNSC 2415NSC-24154-Methoxybenzyl alcohol, n-butyl ether
Show more names
4-(BUTOXYMETHYL)-1-METHOXYBENZENE

Database identifiers

CAS
5333-52-8
PubChem CID
220121
DTXSID
DTXSID60277458
Nikkaji
J516.144D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Formal charge
0
Complexity
128

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes