5-Methyl-1-(trifluoromethyl)naphthalen-2-ol

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Basic information

CAS: 85674-77-7
Standard SMILES: Cc1cccc2c(C(F)(F)F)c(O)ccc12
InChIKey: OJQPLBBVLSDHSF-UHFFFAOYSA-N
Molecular formula: C12H9F3O
Average molar mass: 226.19 g/mol
Monoisotopic mass: 226.06054939

Names & identifiers

Preferred name: 5-Methyl-1-(trifluoromethyl)naphthalen-2-ol
IUPAC: 5-methyl-1-(trifluoromethyl)naphthalen-2-ol

Names & synonyms

5-Methyl-1-(trifluoromethyl)naphthalen-2-ol85674-77-7DTXSID30574481RefChem:303943DTXCID505252535-Methyl-1-(trifluoromethyl)-2-naphthalenolSCHEMBL110015365-Methyl-1-(trifluormethyl)-2-naphthalenol

Database identifiers

CAS: 85674-77-7
PubChem CID: 15568760
DTXSID: DTXSID30574481

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 251

Related reactions

5 records

New reaction record

HRID 615518As productuspto-grants-1985_02

HRID 615519As reactantuspto-grants-1985_02

HRID 647371As productuspto-grants-1983_10

HRID 647372As reactantuspto-grants-1983_10

HRID 677392As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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