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1-(4-Chlorophenyl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol

HCID 19803255
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OC1(c2ccc(Cl)cc2)CCC(C2CCC3(CC2)OCCO3)CC1
InChIKey
RODPXPDZLDGWRU-UHFFFAOYSA-N
Molecular formula
C20H27ClO3
Average molar mass
350.9 g/mol

Names & identifiers

Preferred name
1-(4-Chlorophenyl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol
IUPAC
1-(4-chlorophenyl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol

Names & synonyms

SCHEMBL9181836

Database identifiers

PubChem CID
19803255

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
409

Related reactions

1 records
New reaction record
HRID 1239112 reaction equation
HRID 1239112As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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