1-(4-Propylphenyl)propan-2-one

C12H16O

1-(4-Propylphenyl)propan-2-one is a chemical compound with molecular formula C12H16O and molecular weight 176.25 g/mol .

What is 1-(4-Propylphenyl)propan-2-one?

Molecular Formula
C12H16O
Molecular Weight
176.25 g/mol

Structure Identifiers

SMILES
CCCC1=CC=C(C=C1)CC(=O)C
InChI
InChI=1S/C12H16O/c1-3-4-11-5-7-12(8-6-11)9-10(2)13/h5-8H,3-4,9H2,1-2H3
InChIKey
JEUVKWCHYFXKON-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
176.1201 Da
XLogP
2.90
TPSA
17.1 Ų
H-Bond Donors
0
H-Bond Acceptors
1
Complexity
155
Formal Charge
0

Safety information

No safety data available for this chemical.

Synonyms (3)

  • AKOS022794551
  • SCHEMBL13970533
  • 1-(4-Propylphenyl)propan-2-one

Frequently asked questions

What is the molecular formula of 1-(4-Propylphenyl)propan-2-one?

1-(4-Propylphenyl)propan-2-one has the molecular formula C12H16O and a molecular weight of 176.25 g/mol.

What is the SMILES notation for 1-(4-Propylphenyl)propan-2-one?

The SMILES notation for 1-(4-Propylphenyl)propan-2-one is CCCC1=CC=C(C=C1)CC(=O)C.

What are other names for 1-(4-Propylphenyl)propan-2-one?

1-(4-Propylphenyl)propan-2-one is also known as 1-(4-Propylphenyl)propan-2-one, AKOS022794551, SCHEMBL13970533.

Data sourced from PubChem CID 82490574. Last updated .

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