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3-[4-(2,3-Dichlorophenyl)phenyl]but-2-en-1-ol

HCID 69801045
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=CCO)c1ccc(-c2cccc(Cl)c2Cl)cc1
InChIKey
RPLCCEFNPUJLTQ-UHFFFAOYSA-N
Molecular formula
C16H14Cl2O
Average molar mass
293.2 g/mol
Monoisotopic mass
292.0421705

Names & identifiers

Preferred name
3-[4-(2,3-Dichlorophenyl)phenyl]but-2-en-1-ol
IUPAC
3-[4-(2,3-dichlorophenyl)phenyl]but-2-en-1-ol

Names & synonyms

SCHEMBL6496150

Database identifiers

PubChem CID
69801045

Properties

Computed structural propertiesFilling in

XLogP
5.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
308

Related reactions

2 records
New reaction record
HRID 2152608 reaction equation
HRID 2152608As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2311106 reaction equation
HRID 2311106As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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