1,4-Ethanonaphthalen-2-ol, 1,2,3,4-tetrahydro-, exo-

HCID 582616

Notes Reactions

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Basic information

Standard SMILES: OC1CC2CCC1c1ccccc12
InChIKey: ILPNNYVOVSPQCS-UHFFFAOYSA-N
Molecular formula: C12H14O
Average molar mass: 174.24 g/mol

Names & identifiers

Preferred name: 1,4-Ethanonaphthalen-2-ol, 1,2,3,4-tetrahydro-, exo-
IUPAC: tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol

Names & synonyms

SCHEMBL25467671,4-Ethanonaphthalen-2-ol, 1,2,3,4-tetrahydro-, exo-tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol1,4-Ethanonaphthalen-2-ol, 1,2,3,4-tetrahydro-, (1.alpha.,2.alpha.,4.alpha.)-

Database identifiers

PubChem CID: 582616

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 201

Related reactions

3 records

New reaction record

HRID 104675As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1137200As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1879347As reactantuspto-grants-2012_11

Compound notes

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