HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1,4-Dimethyl-2-(2-propen-1-yloxy)benzene

HCID 219474
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3727-20-6
Standard SMILES
C=CCOc1cc(C)ccc1C
InChIKey
QWAGCIJITDEANI-UHFFFAOYSA-N
Molecular formula
C11H14O
Average molar mass
162.23 g/mol
Monoisotopic mass
162.10446507

Names & identifiers

Preferred name
1,4-Dimethyl-2-(2-propen-1-yloxy)benzene
IUPAC
1,4-dimethyl-2-prop-2-enoxybenzene
English name
Benzene,1,4-dimethyl-2-(2-propen-1-yloxy)-
Molecular formula
C11H14O
Molecular weight
162.22826

Names & synonyms

3727-20-61,4-dimethyl-2-(prop-2-en-1-yloxy)benzeneALLYL 2,5-XYLYL ETHER2-allyloxy-1,4-dimethylbenzeneNSC-84922Y4E7LEH7Gemfibrozil impurity G [EP]1,4-Dimethyl-2-(2-propen-1-yloxy)benzeneDTXSID40277097Benzene, 1,4-dimethyl-2-(2-propen-1-yloxy)-GEMFIBROZIL IMPURITY G [EP IMPURITY]GEMFIBROZIL IMPURITY G (EP IMPURITY)
Show more names
Benzene,1,4-dimethyl-2-(2-propen-1-yloxy)-
Gemfibrozil impurity GRefChem:196827DTXCID902282562-(allyloxy)-1,4-dimethylbenzeneGemfibrozil EP Impurity G1,4-dimethyl-2-prop-2-enoxybenzene1,4-dimethyl-2-(2-propenyloxy)benzeneNSC849

Database identifiers

CAS
3727-20-6
PubChem CID
219474
DTXSID
DTXSID40277097
UNII
22Y4E7LEH7
Nikkaji
J1.297.724G

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
142

Physicochemical properties

FDA UNII
22 Y4E7LEH7 · 22Y4E7LEH7
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes