1-(4-acetylphenyl)ethanone

C10H10O2 — CID 13888

IUPAC1-(4-acetylphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
InChIKeySKBBQSLSGRSQAJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.09
Rot. Bonds2

About 1-(4-acetylphenyl)ethanone

1-(4-acetylphenyl)ethanone (PubChem CID 13888) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(4-acetylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylphenyl)ethanone
PubChem CID13888
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1-(4-acetylphenyl)ethanone
SMILESCC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
InChIKeySKBBQSLSGRSQAJ-UHFFFAOYSA-N
XLogP2.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)ethanone?
The IUPAC name of 1-(4-acetylphenyl)ethanone (CID 13888) is 1-(4-acetylphenyl)ethanone.
What is the SMILES notation for 1-(4-acetylphenyl)ethanone?
The canonical SMILES for 1-(4-acetylphenyl)ethanone is CC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)ethanone?
The InChIKey is SKBBQSLSGRSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3.
What are the key properties of 1-(4-acetylphenyl)ethanone?
1-(4-acetylphenyl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)ethanone is sourced from PubChem (CID 13888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).