3-(5-Hydroxymethyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde

HCID 18445409
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Basic information

Standard SMILES
CC1(C)COc2c(-c3cc(C=O)ccc3OC(F)(F)F)cc(CO)cc21
InChIKey
VGGWKOFEJICRNQ-UHFFFAOYSA-N
Molecular formula
C19H17F3O4
Average molar mass
366.3 g/mol

Names & identifiers

Preferred name
3-(5-Hydroxymethyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde
IUPAC
3-[5-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde

Names & synonyms

3-(5-hydroxymethyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehydeSCHEMBL5658300

Database identifiers

PubChem CID
18445409

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

Related reactions

6 records
New reaction record

Compound notes

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