3-(4-bromo-3-methoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-2-fluorobut-2-en-1-ol

HCID 69732020
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Basic information

Standard SMILES
COc1c(C(C)=C(F)CO)cc2c(c1Br)C(C)(C)CC=C2C(C)C
InChIKey
GTKRTMQJNGWFJE-UHFFFAOYSA-N
Molecular formula
C20H26BrFO2
Average molar mass
397.3 g/mol
Monoisotopic mass
396.11002

Names & identifiers

Preferred name
3-(4-bromo-3-methoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-2-fluorobut-2-en-1-ol
IUPAC
3-(4-bromo-3-methoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)-2-fluorobut-2-en-1-ol

Names & synonyms

SCHEMBL6282941

Database identifiers

PubChem CID
69732020

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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