2',6'-Dimethyl-4'-[3-(methylthio)propoxy]-6-phenoxybiphenyl-3-carbaldehyde

HCID 59342607
Substructure searchFind similar structures

Basic information

Standard SMILES
CSCCCOc1cc(C)c(-c2cc(C=O)ccc2Oc2ccccc2)c(C)c1
InChIKey
CYDUGIUHQWKXFI-UHFFFAOYSA-N
Molecular formula
C25H26O3S
Average molar mass
406.5 g/mol

Names & identifiers

Preferred name
2',6'-Dimethyl-4'-[3-(methylthio)propoxy]-6-phenoxybiphenyl-3-carbaldehyde
IUPAC
3-[2,6-dimethyl-4-(3-methylsulfanylpropoxy)phenyl]-4-phenoxybenzaldehyde

Names & synonyms

SCHEMBL205806CYDUGIUHQWKXFI-UHFFFAOYSA-N2',6'-dimethyl-4'-[3-(methylthio)propoxy]-6-phenoxybiphenyl-3-carbaldehyde

Database identifiers

PubChem CID
59342607

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
60.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
29

Related reactions

5 records
New reaction record

Linked notes

Loading…