4-[3-Hydroxy-3-methyl-1-(naphthalen-1-yl)butyl]benzene-1,3-diol

HCID 20570545

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Basic information

CAS
62550-61-2
Standard SMILES
CC(C)(O)CC(c1ccc(O)cc1O)c1cccc2ccccc12
InChIKey
SUVBZSPHWXZDLL-UHFFFAOYSA-N
Molecular formula
C21H22O3
Average molar mass
322.4 g/mol
Monoisotopic mass
322.15689456

Names & identifiers

Preferred name
4-[3-Hydroxy-3-methyl-1-(naphthalen-1-yl)butyl]benzene-1,3-diol
IUPAC
4-(3-hydroxy-3-methyl-1-naphthalen-1-ylbutyl)benzene-1,3-diol

Names & synonyms

62550-61-2SCHEMBL11369304DTXSID20608845SUVBZSPHWXZDLL-UHFFFAOYSA-N4-[3-Hydroxy-3-methyl-1-(naphthalen-1-yl)butyl]benzene-1,3-diol4-(2,4-dihydroxyphenyl)-2-methyl-4-(1-naphthyl)-2-butanol

Database identifiers

CAS
62550-61-2
PubChem CID
20570545
DTXSID
DTXSID20608845

Properties

Computed structural propertiesFilling in

XLogP
4.5
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24

Related reactions

6 records

Compound notes

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