(3'-(Hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate

HCID 59342573

Basic information

Standard SMILES
CC(=O)OCc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CO)c1
InChIKey
AIRMASUASKAPGN-UHFFFAOYSA-N
Molecular formula
C21H26O6S
Average molar mass
406.5 g/mol

Names & identifiers

Preferred name
(3'-(Hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate
IUPAC
[2-[3-(hydroxymethyl)phenyl]-3-methyl-5-(3-methylsulfonylpropoxy)phenyl]methyl acetate

Names & synonyms

(3'-(hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl)methyl acetate{3'-(hydroxymethyl)-6-methyl-4-[3-(methylsulfonyl)propoxy]biphenyl-2-yl}methyl acetateSCHEMBL204792AIRMASUASKAPGN-UHFFFAOYSA-N

Database identifiers

PubChem CID
59342573

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
98.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
28

Related reactions

9 records

Linked notes

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