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5-fluoro-2-methyl-1H-3-indenyl-(2-hydroxy) ethane

HCID 13933293
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1=C(CCO)c2cc(F)ccc2C1
InChIKey
LIZGAXKNFHWGNX-UHFFFAOYSA-N
Molecular formula
C12H13FO
Average molar mass
192.23 g/mol

Names & identifiers

Preferred name
5-fluoro-2-methyl-1H-3-indenyl-(2-hydroxy) ethane
IUPAC
2-(6-fluoro-2-methyl-3H-inden-1-yl)ethanol

Names & synonyms

SCHEMBL5712303LIZGAXKNFHWGNX-UHFFFAOYSA-N5-fluoro-2-methyl-1H-3-indenyl-(2-hydroxy)ethane5-fluoro-2-methyl-1H-3-indenyl-(2-hydroxy) ethane

Database identifiers

PubChem CID
13933293

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
247

Related reactions

11 records
New reaction record
HRID 377360 reaction equation
HRID 377360As productuspto-grants-2000_02
HRID 377361 reaction equation
HRID 377361As reactantuspto-grants-2000_02
HRID 377756 reaction equation
HRID 377756As productuspto-grants-2000_02
HRID 542229 reaction equation
HRID 542229As productuspto-grants-1987_04
HRID 567193 reaction equation
HRID 567193As productuspto-grants-2001_01
HRID 619399 reaction equation
HRID 619399As productuspto-grants-1999_09
HRID 1075475 reaction equation
HRID 1075475As productuspto-grants-1999_05
HRID 1134762 reaction equation
HRID 1134762As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes

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