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1,3-Dichloro-2-diphenylmethoxypropane

HCID 12329338
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
ClCC(CCl)OC(c1ccccc1)c1ccccc1
InChIKey
KBRXQUQJZSKIKH-UHFFFAOYSA-N
Molecular formula
C16H16Cl2O
Average molar mass
295.2 g/mol

Names & identifiers

Preferred name
1,3-Dichloro-2-diphenylmethoxypropane
IUPAC
[1,3-dichloropropan-2-yloxy(phenyl)methyl]benzene

Names & synonyms

SCHEMBL9683645KBRXQUQJZSKIKH-UHFFFAOYSA-N1,3-dichloro-2-diphenylmethoxypropane

Database identifiers

PubChem CID
12329338

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
213

Related reactions

6 records
New reaction record
HRID 303078 reaction equation
HRID 303078As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 654080 reaction equation
HRID 654080As productuspto-grants-1992_07
HRID 654081 reaction equation
HRID 654081As reactantuspto-grants-1992_07
HRID 654082 reaction equation
HRID 654082As reactantuspto-grants-1992_07
HRID 696656 reaction equation
HRID 696656As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2324379 reaction equation
HRID 2324379As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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