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5-Hydroxy-5,6-dimethyl-dibenzo[a,e]cyclooct-11-ene

HCID 67794886
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Basic information

Standard SMILES
CC1c2ccccc2C=Cc2ccccc2C1(C)O
InChIKey
JEHSTPLSNDQJNG-UHFFFAOYSA-N
Molecular formula
C18H18O
Average molar mass
250.3 g/mol

Names & identifiers

Preferred name
5-Hydroxy-5,6-dimethyl-dibenzo[a,e]cyclooct-11-ene
IUPAC
2,3-dimethyltricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaen-2-ol

Names & synonyms

SCHEMBL9208389JEHSTPLSNDQJNG-UHFFFAOYSA-N5-Hydroxy-5,6-dimethyl-dibenzo[a,e]cyclooct-11-ene

Database identifiers

PubChem CID
67794886

Properties

Computed structural properties

XLogP
4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
19
Formal charge
0
Complexity
348

Related reactions

2 records
New reaction record
HRID 87237 reaction equation
HRID 87237As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1651067 reaction equation
HRID 1651067As productuspto-grants-1990_05

Compound notes

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