2-(3-Methoxyphenyl)-2-methylpropanal

HCID 13296993

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc(C(C)(C)C=O)c1
InChIKey: YFGLPRMVDQOTSA-UHFFFAOYSA-N
Molecular formula: C11H14O2
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.09937969

Names & identifiers

Preferred name: 2-(3-Methoxyphenyl)-2-methylpropanal
IUPAC: 2-(3-methoxyphenyl)-2-methylpropanal

Names & synonyms

2-(3-methoxyphenyl)-2-methylpropanal32454-15-2SCHEMBL3532850YFGLPRMVDQOTSA-UHFFFAOYSA-NEN300-1141621

Database identifiers

PubChem CID: 13296993

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 175

Related reactions

8 records

New reaction record

HRID 854955As productuspto-grants-2007_08

HRID 854956As reactantuspto-grants-2007_08

HRID 854958As reactantuspto-grants-2007_08

HRID 1443267As reactantuspto-grants-2010_02

HRID 1444534As reactantuspto-grants-2010_02

HRID 1869448As reactantuspto-grants-2009_12

HRID 2141323As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2335430As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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