1-(2,4-dimethylphenyl)ethanone

C10H12O — CID 6985

IUPAC1-(2,4-dimethylphenyl)ethanone
SMILESCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
InChIKeyHSDSKVWQTONQBJ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.51
Rot. Bonds1

About 1-(2,4-dimethylphenyl)ethanone

1-(2,4-dimethylphenyl)ethanone (PubChem CID 6985) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)ethanone
PubChem CID6985
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-(2,4-dimethylphenyl)ethanone
SMILESCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
InChIKeyHSDSKVWQTONQBJ-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)ethanone (CID 6985) is 1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)ethanone is CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)ethanone?
The InChIKey is HSDSKVWQTONQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)ethanone?
1-(2,4-dimethylphenyl)ethanone has a molecular weight of 148.20 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 6985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).