2-Methyl-1-(4-phenylphenyl)butan-1-one

HCID 230211

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(C)C(=O)c1ccc(-c2ccccc2)cc1
InChIKey: CELOWHKBPDLREM-UHFFFAOYSA-N
Molecular formula: C17H18O
Average molar mass: 238.32 g/mol

Names & identifiers

Preferred name: 2-Methyl-1-(4-phenylphenyl)butan-1-one
IUPAC: 2-methyl-1-(4-phenylphenyl)butan-1-one

Names & synonyms

NSC24807SCHEMBL4558930NSC-24807

Database identifiers

PubChem CID: 230211

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 257

Related reactions

3 records

New reaction record

HRID 1124048 reaction equation

HRID 1124048As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1223715 reaction equation

HRID 1223715As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2160359 reaction equation

HRID 2160359As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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