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4-Phenethoxybutan-1-ol

HCID 19082188
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCCCCOCCc1ccccc1
InChIKey
SOLTWBQQYFMWSX-UHFFFAOYSA-N
Molecular formula
C12H18O2
Average molar mass
194.27 g/mol

Names & identifiers

Preferred name
4-Phenethoxybutan-1-ol
IUPAC
4-(2-phenylethoxy)butan-1-ol

Names & synonyms

4-phenethoxybutan-1-ol155526-43-54-(2-phenylethoxy)butan-1-ol4-[2-phenylethoxy]butanolSCHEMBL8673473SOLTWBQQYFMWSX-UHFFFAOYSA-NFGA52643MFCD29917886

Database identifiers

PubChem CID
19082188
Nikkaji
J1.801.879I

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
14
Formal charge
0
Complexity
119

Related reactions

3 records
New reaction record
HRID 265289 reaction equation
HRID 265289As reactantuspto-grants-1997_07
HRID 963558 reaction equation
HRID 963558As reactantuspto-grants-1998_06
HRID 1537300 reaction equation
HRID 1537300As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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