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4-But-2-ynyloxy-phenol (HCID 22634045)|Huagongshe
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Compound
4-But-2-ynyloxy-phenol
HCID
22634045
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC#CCOc1ccc(O)cc1
InChIKey
KEXIKJSIMOKDKK-UHFFFAOYSA-N
Molecular formula
C10H10O2
Average molar mass
162.18 g/mol
Names & identifiers
Preferred name
4-But-2-ynyloxy-phenol
IUPAC
4-but-2-ynoxyphenol
Names & synonyms
4-(2-Butyn-1-yloxy)phenol
287392-83-0
4-But-2-ynyloxy-phenol
SCHEMBL2895020
KEXIKJSIMOKDKK-UHFFFAOYSA-N
MFCD16706039
AKOS011594330
Database identifiers
PubChem CID
22634045
Properties
Computed structural properties
XLogP
2.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
179
Show all 8
Show all 8 / 8
Related reactions
7 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
12932
As product
uspto-grants-2010_06
HRID
12933
As reactant
uspto-grants-2010_06
HRID
301052
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1230755
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1250921
As product
uspto-grants-2002_01
HRID
2417252
As product
uspto-grants-2004_11
HRID
2417253
As reactant
uspto-grants-2004_11
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Compound notes
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