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2-Methoxy-1-(3-methoxy-propoxy)4-methyl-benzene

HCID 57790758
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCCOc1ccc(C)cc1OC
InChIKey
PDNFHBYBIYISKL-UHFFFAOYSA-N
Molecular formula
C12H18O3
Average molar mass
210.27 g/mol

Names & identifiers

Preferred name
2-Methoxy-1-(3-methoxy-propoxy)4-methyl-benzene
IUPAC
2-methoxy-1-(3-methoxypropoxy)-4-methylbenzene

Names & synonyms

911115-74-7SCHEMBL3373256PDNFHBYBIYISKL-UHFFFAOYSA-NDB-1046642-Methoxy-1-(3-methoxy-propoxy)4-methyl-benzene4-(1-Methylpiperidin-4-yl)-2-nitroaniline, 97%2-methoxy-1-(3-methoxy-propoxy)-4-methyl-benzene

Database identifiers

PubChem CID
57790758

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
161

Related reactions

4 records
New reaction record
HRID 821559 reaction equation
HRID 821559As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1158455 reaction equation
HRID 1158455As productuspto-grants-2010_10
HRID 1158456 reaction equation
HRID 1158456As reactantuspto-grants-2010_10
HRID 2157063 reaction equation
HRID 2157063As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes