3,3,5-Trimethyl-2-benzofuran-1-one

HCID 851072
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Basic information

Standard SMILES
Cc1ccc2c(c1)C(C)(C)OC2=O
InChIKey
CULLRVKKLKNLAE-UHFFFAOYSA-N
Molecular formula
C11H12O2
Average molar mass
176.21 g/mol

Names & identifiers

Preferred name
3,3,5-Trimethyl-2-benzofuran-1-one
IUPAC
3,3,5-trimethyl-2-benzofuran-1-one

Names & synonyms

3,3,5-trimethyl-2-benzofuran-1-one3,3,5-trimethyl-2-benzofuran-1(3H)-one16225-06-23,3,5-trimethyl-3H-isobenzofuran-1-oneSCHEMBL9089041CULLRVKKLKNLAE-UHFFFAOYSA-NAP-836/41220120

Database identifiers

PubChem CID
851072
Nikkaji
J3.780.612I

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13

Related reactions

1 records
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Compound notes

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